SCHEMBL9515087

SCHEMBL9515087

CCOC(=O)Nc1ccc(C)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
CYP2D6 P10635 2/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 4/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KCNQ3 O43525 1/20 0.51

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
SCHEMBL11403215 0.89 LMNA (0.50) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL1250083 0.89 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1250081 0.87 RAB9A (0.55) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL15866564 0.86 SMN1; SMN2 (0.52) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL10782684 0.85 SMN1; SMN2 (0.52) CYP3A4MAPTMAPK1POLBHPGD
SCHEMBL31314406 0.85 SMN1; SMN2 (0.52) CYP3A4MAPTMAPK1POLBHPGD
SCHEMBL11440992 0.85 POLB (0.62) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL11311201 0.84 RAB9A (0.64) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL7906464 0.84 KCNQ3 (0.58) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8592724 0.83 RAB9A (0.54) RAB9ANPC1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255677-B1 Process for producing Polyamino-hydroxy compounds containing urethane and/or urea groups and their use in the production of polyurea urethanes BAYER AG (DE) 1993-12-08 EP disclosed
US-4740531-A REACTION INJECTION MOLDING MATERIALS; LOW VISCOSITY; COMPACT SURFACES BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
US-4611079-A USEFUL AS ISOCAYANATE PRECURSORS BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0018583-B1 PROCESS FOR THE PREPARATION OF ARYL-MONO-,-DI-AND/OR POLYURETHANES- BASF Aktiengesellschaft (DE) 1984-02-15 EP disclosed
EP-0030269-B1 PROCESS FOR RECOVERING THE NOBLE METAL CATALYST IN THE PRODUCTION OF AROMATIC URETHANES BASF Aktiengesellschaft (DE) 1983-09-28 EP disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed
EP-0018581-B1 PROCESS FOR THE PREPARATION OF ARYL-MONO- AND/OR POLYURETHANES BASF Aktiengesellschaft (DE) 1983-05-25 EP disclosed
US-4375000-A Process for the preparation of an aryl mono-, di-, and/or polyurethane BASF AKTIENGESELLSCHAFT (DE) 1983-02-22 US disclosed
US-4319035-A FROM AROMATIC NITRO COMPOUNDS OR AMINES, OXIDIZERS, CARBON MONOXIDE, HYDROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0030269-A1 Process for recovering the noble metal catalyst in the production of aromatic urethanes BASF Aktiengesellschaft (DE) 1981-06-17 EP disclosed
EP-0010585-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1981-05-13 EP disclosed
US-4267353-A Preparation of aromatic urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
EP-0019109-A1 Process for preparing aromatic di- and polyurethanes BASF Aktiengesellschaft (DE) 1980-11-26 EP disclosed
US-4236016-A Process for the preparation of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
EP-0018583-A1 Process for the preparation of aryl-mono-,-di-and/or polyurethanes- BASF Aktiengesellschaft (DE) 1980-11-12 EP disclosed
EP-0018581-A1 Process for the preparation of aryl-mono- and/or polyurethanes BASF Aktiengesellschaft (DE) 1980-11-12 EP disclosed
US-4230876-A Process for the preparation of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1980-10-28 US disclosed
EP-0010585-A1 Process for preparing urethanes BAYER AG (DE) 1980-05-14 EP disclosed
EP-0003988-A1 Process for preparing urethanes BAYER AG (DE) 1979-09-19 EP disclosed