SCHEMBL7807604

SCHEMBL7807604

COc1cc(N)c(-c2cccs2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.47
ERN1 O75460 2/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
APLNR P35414 2/20 0.43
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 4/20 0.42

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
Hydrochloric Acid SCHEMBL7800931 0.98 RPS6KB2 (0.46) RPS6KB2ERN1TUBB4ATUBBTUBA3C
SCHEMBL16600073 0.84 KCNH2 (0.55) RPS6KB2NPC1KDM4EMAPTKCNH2
SCHEMBL28600275 0.80 MAPT (0.53) ERN1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2780877 0.78 RPS6KB2 (0.56) RPS6KB2ERN1NPC1KDM4EMAPT
SCHEMBL7807583 0.77 KCNH2 (0.46) NPC1KDM4EMAPTKCNH2MAOB
SCHEMBL23097942 0.77 KCNH2 (0.64) RPS6KB2ERN1NPC1KDM4EMAPT
SCHEMBL10914755 0.77 ERN1 (0.49) RPS6KB2ERN1TUBB4ATUBBTUBA3C
SCHEMBL21999630 0.77 KCNH2 (0.64) RPS6KB2ERN1NPC1KDM4EMAPT
SCHEMBL4894260 0.77 MAOB (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL7808461 0.76 KCNH2 (0.44) NPC1KDM4EMAPTKCNH2MAOB

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