SCHEMBL5166565

SCHEMBL5166565

CCSc1cc(N)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CASP1 P29466 2/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RAB9A P51151 1/20 0.34
AOC3 Q16853 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
Hydrochloric Acid SCHEMBL8948328 0.98 GAA (0.43) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3783410 0.84 AAK1 (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11409408 0.83 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3789429 0.81 CYP3A4 (0.48) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14219137 0.81 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11479592 0.80 TLR8 (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3789865 0.80 MAOA (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL23302326 0.79 SLC6A4 (0.41) MEN1KMT2APOLBNPC1APOBEC3G
SCHEMBL11617208 0.79 PTGS1 (0.36) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL3781947 0.79 TSHR (0.46) MAPTMEN1KMT2AALDH1A1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335900-B1 ALKYLTHIO- AND ARYL(HETEROYL)THIO-SUBSTITUTED P-PHENYLENEDIAMINES, THEIR MANUFACTURE AND THEIR USE IN RUBBER FLEXSYS AMERICA LP (US) 2007-04-18 EP claimed
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP claimed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US claimed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP claimed
EP-1335900-B1 ALKYLTHIO- AND ARYL(HETEROYL)THIO-SUBSTITUTED P-PHENYLENEDIAMINES, THEIR MANUFACTURE AND THEIR USE IN RUBBER FLEXSYS AMERICA LP (US) 2007-04-18 EP disclosed
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 EP disclosed
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed
EP-0656202-A1 Dyeing composition containing sulphurous p-phenylene-diamines, novel sulphurous p-phenylenediamines and method of preparation L'OREAL (FR) 1995-06-07 EP disclosed
EP-0001604-B1 AROMATIC DIISOCYANATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF POLYURETHANES BAYER AG (DE) 1980-07-23 EP disclosed