SCHEMBL7806017

SCHEMBL7806017

COCCCNc1ccc(N)cc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
PTGER4 P35408 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
NCF1 P14598 1/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
THRB P10828 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
SCHEMBL7809731 0.92 NCF1 (0.43) GAAPTGER4ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7808497 0.91 NCF1 (0.42) GAAPTGER4ALDH1A1KDM4EMEN1
SCHEMBL7812171 0.83 ALDH1A1 (0.41) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7805982 0.80 ADORA1 (0.43) GAAALDH1A1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7805948 0.79 ADORA1 (0.43) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7808598 0.78 GAA (0.41) GAAPTGER4ALDH1A1KDM4EMEN1
SCHEMBL7459097 0.78 PTGER4 (0.43) GAAPTGER4ALDH1A1KDM4EMEN1
SCHEMBL7812474 0.75 LTA4H (0.41) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7809829 0.75 PTGER4 (0.40) PTGER4ALDH1A1KDM4EPOLBMAPT
SCHEMBL7800935 0.75 PDE4B (0.43) PTGER4ALDH1A1POLBMAPTSMN1; SMN2

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