SCHEMBL4748653

SCHEMBL4748653

Cc1cccc(C(=O)Nc2ccc(C)c(N)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 10/20 0.69
▸ KCNK9 Q9NPC2 8/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ KMT2A Q03164 6/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ NT5E P21589 1/20 0.58
▸ BRAF P15056 1/20 0.57
▸ FFAR1 O14842 1/20 0.57
▸ GLA P06280 1/20 0.57

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
SCHEMBL22025458 0.88 MEN1 (0.69) KCNK3KCNK9KCNH2KMT2AMEN1
SCHEMBL15006333 0.86 KCNK3 (0.76) KCNK3KCNK9KCNH2KMT2AMEN1
SCHEMBL3241551 0.86 KMT2A (0.69) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL29502995 0.86 KMT2A (0.69) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL19070454 0.86 MAPT (0.59) KCNK3KCNK9KCNH2KMT2AMEN1
SCHEMBL3101556 0.86 RAB9A (0.59) KCNK3KCNK9KCNH2KMT2AMEN1
SCHEMBL12192807 0.86 KCNK3 (0.64) KCNK3KCNK9RXFP1NPC1RAB9A
SCHEMBL12065272 0.85 KMT2A (0.52) KCNK3KCNK9KCNH2KMT2AMEN1
SCHEMBL5897054 0.83 MAPK14 (0.65) KCNK3RAB9ATP53KDM4EMAPT
SCHEMBL15846834 0.83 NPC1 (0.66) KMT2AMEN1NPC1RAB9ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 — — EP disclosed
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 — — WO disclosed
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