SCHEMBL538823

SCHEMBL538823

CCc1ccc(C(N)N)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HTR1A P08908 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31206567 1.00 NPC1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL28833637 0.98 NPC1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL28806591 0.83 NPC1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL7631063 0.81 NPC1 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL9735709 0.81 CYP1A2 (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL18243233 0.79 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL7514265 0.78 TRPA1 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL18242360 0.78 ALDH1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL18242755 0.76 ALDH1A1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL96519 0.75 ALDH1A1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 730 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894475-B1 ASSEMBLY COMPONENTS COMPRISING CURABLE COMPOSITIONS CONTAINING ACETOACETYLATED RESINS EASTMAN CHEM CO (US) 2024-06-19 EP claimed
EP-3894474-B1 CURABLE COMPOSITIONS COMPRISING ACETOACETYLATED RESINS, ALDEHYDES AND CERTAIN AMINES EASTMAN CHEM CO (US) 2023-09-13 EP claimed
CN-112126194-A Preparation method of toughened and modified epoxy resin composite material 江南大学 2020-12-25 CN claimed
EP-1902106-B1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORP (US) 2014-08-20 EP claimed
US-20130112108-A1 PRODUCING METHOD OF INK COMPOSITION FOR FORMING ABSORPTION LAYER OF THIN FILM CELLS BOSIN TECHNOLOGY CO., LTD. (TW) 2013-05-09 US claimed
US-20110023750-A1 INK COMPOSITION FOR FORMING ABSORBERS OF THIN FILM CELLS AND PRODUCING METHOD THEREOF Wang, Kuan-Che (TW) 2011-02-03 US claimed
EP-2044136-A1 POLYUREA-POLYURETHANE MOLDINGS AND PROCESS FOR THEIR PRODUCTION Bayer MaterialScience AG (DE) 2009-04-08 EP claimed
EP-1603962-B1 IMPROVEMENTS IN OR RELATING TO THERMOSETTING RESIN COMPOSITIONS HEXCEL COMPOSITES LTD (GB) 2009-02-04 EP claimed
EP-1630191-B1 Process for the preparation of particulate polyurea by spray drying RHEIN CHEMIE RHEINAU GMBH (DE) 2009-01-21 EP claimed
WO-2008006472-A1 POLYUREA-POLYURETHANE MOLDINGS AND PROCESS FOR THEIR PRODUCTION BAYER MATERIALSCIENCE AG (DE) 2008-01-17 WO claimed
EP-0983313-B1 METHOD FOR PRODUCING SOFT TO MEDIUM-HARD STRUCTURAL POLYURETHANE FOAMS BAYER AG (DE) 2001-10-17 EP claimed
US-6235799-B1 USING SPECIFIED C6 HYDROCARBON BLOWING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US claimed
EP-0889937-B1 SOLVENTLESS TWO-COMPONENT STRIPPABLE LACQUER FOR METAL SURFACES RELIUS COATINGS GMBH & CO (DE) 2000-07-05 EP claimed
EP-0499206-B1 Polyamine compositions containing secondary amine functions NIPPON PAINT CO LTD (JP) 1997-07-02 EP claimed
EP-0406702-B1 Preparation of polyurethane foams without using inert blowing agents UNION CARBIDE CHEM PLASTIC (US) 1997-03-05 EP claimed
EP-0587633-B1 PROCESS FOR INSULATING PIPES BAYER AG (DE) 1995-12-20 EP claimed
US-5470515-A Rotational molding process for insulating pipes BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US claimed
EP-0499206-A2 Polyamine compositions containing secondary amine functions NIPPON PAINT CO., LTD. (JP) 1992-08-19 EP claimed
EP-0406702-A1 Preparation of polyurethane foams without using inert blowing agents UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-09 EP claimed
US-4950694-A Preparation of polyurethane foams without using inert blowing agents UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-08-21 US claimed