SCHEMBL7808600

SCHEMBL7808600

COCCN(C)c1ccc(N)c(-c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.39
HDAC1 Q13547 8/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
KCNH2 Q12809 1/20 0.37
HDAC3 O15379 6/20 0.36
APLNR P35414 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A9 P48067 2/20 0.35
TDO2 P48775 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL7807480 0.88 NPC1 (0.39) HDAC2HDAC1NPC1RAB9AATM
SCHEMBL7805999 0.84 TDP1 (0.43) HDAC2HDAC1NPC1RAB9AATM
SCHEMBL7808585 0.79 KCNH2 (0.46) HDAC2HDAC1NPC1RAB9AATM
SCHEMBL7806018 0.77 HDAC1 (0.38) HDAC2HDAC1NPC1RAB9AATM
SCHEMBL7462791 0.77 KCNH2 (0.38) KCNH2MAPTSLC6A9TDO2DPP4
SCHEMBL7807635 0.75 HDAC2 (0.36) HDAC2HDAC1NPC1RAB9AATM
SCHEMBL7800810 0.74 GBA1 (0.36) HDAC1MAPTKDM4EHPGDHDAC6
SCHEMBL7808518 0.74 CYP3A4 (0.33) DPP4
SCHEMBL7812212 0.74 CFTR (0.32) LMNADPP4ALDH1A1
SCHEMBL10420297 0.73 S100B (0.50) DPP4ALDH1A1

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