SCHEMBL7808523

SCHEMBL7808523

CC1(N(CCO)CCO)C=C(c2cccs2)C(N)=CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
RARA P10276 3/20 0.31
RARB P10826 3/20 0.31
RARG P13631 2/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC3 O15379 2/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8100162 0.83 HDAC1 (0.31) TDP1HDAC1HDAC2HDAC3
SCHEMBL7800827 0.74 KCNH2 (0.37) RARARARBRARGHDAC1HDAC2
SCHEMBL7458242 0.72
SCHEMBL8060685 0.61
SCHEMBL7807618 0.59 TDP1 (0.31) TDP1
SCHEMBL7805999 0.59 TDP1 (0.43) TDP1HDAC1HDAC2HDAC3KCNH2
SCHEMBL7807514 0.58 NPC1 (0.41) TDP1HDAC1HDAC2HDAC3KCNH2
SCHEMBL7812174 0.56 TDP1 (0.43) TDP1HDAC1HDAC2HDAC3
SCHEMBL7809761 0.56 NPC1 (0.40) TDP1HDAC1HDAC2HDAC3KCNH2
SCHEMBL7807264 0.56 AR (0.39) TDP1HDAC1HDAC2HDAC3KCNH2

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