SCHEMBL7809764

SCHEMBL7809764

CN(C)c1ccc(-c2cc(N)ccc2N)o1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL7805986 0.78 CASP1 (0.39) GAAMEN1KMT2AALDH1A1ALOX15
SCHEMBL7808469 0.75 KDM4E (0.30) ALDH1A1
SCHEMBL7808238 0.75 S100B (0.33) GAAMEN1KMT2AALDH1A1TP53
SCHEMBL7800708 0.74 ALOX5 (0.42) GAAMEN1KMT2AALDH1A1TP53
SCHEMBL7459627 0.72 MEN1 (0.32) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL7807368 0.71 CYP2A6 (0.46) ALDH1A1TP53CYP3A4
SCHEMBL7812165 0.71 ALDH1A1 (0.43) GAAMEN1KMT2AALDH1A1TDP1
SCHEMBL7805991 0.70 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1TP53
SCHEMBL3338155 0.68 CASP1 (0.46) GAAMEN1KMT2AALDH1A1TP53
SCHEMBL6571103 0.67 ALDH1A1 (0.56) GAAMEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed