SCHEMBL5713700

SCHEMBL5713700

Cc1ccc(NCc2cccc(C#N)c2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46

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
SCHEMBL8234870 0.81 HTT (0.57) LRRK2HDAC4MEF2DSCN8AVNN1
SCHEMBL6691560 0.81 NOS1 (0.58) LRRK2HDAC4MEF2DERCC1ERCC4
SCHEMBL5713517 0.79 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713616 0.79 ARG1 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713600 0.79 FFAR1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713592 0.79 MAPT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5713621 0.77 MAPT (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29118508 0.77 SCN8A (0.53) HDAC4MEF2DERCC1ERCC4SCN8A
SCHEMBL24427767 0.74 SCN8A (0.53) SCN8AVNN1MAPTCYP1A2CYP3A4
SCHEMBL5714316 0.73 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-1251822-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2006-05-31 EP disclosed
CN-1196464-C Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2005-04-13 CN disclosed
US-6540793-B1 Coupler for use in oxidative hair dyeing CLAIROL INCORPORATED 2003-04-01 US disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
EP-1251822-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2002-10-30 EP disclosed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 WO disclosed