SCHEMBL7805986

SCHEMBL7805986

Cc1ccc(-c2cc(N)ccc2N)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 9/20 0.37
MAPT P10636 7/20 0.37
KDM4E B2RXH2 6/20 0.37
PKM P14618 6/20 0.37
HPGD P15428 6/20 0.37
GAA P10253 5/20 0.37
GLA P06280 3/20 0.37
ATM Q13315 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ALOX15 P16050 3/20 0.36
CASP7 P55210 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7809764 0.78 GAA (0.35) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7470843 0.77 ALDH1A1 (0.38) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7800708 0.77 ALOX5 (0.42) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL2976632 0.76 ALDH1A1 (0.49) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7807368 0.74 CYP2A6 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7812165 0.74 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL7805991 0.73 ALDH1A1 (0.46) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL7808536 0.72 S100B (0.36) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7809861 0.72 ALDH1A1 (0.34) CASP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7807376 0.72 CASP1 (0.38) CASP1TDP1ALDH1A1PDE10AALOX15

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