SCHEMBL16518898

SCHEMBL16518898

Cc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.61
▸ ROCK1 Q13464 3/20 0.61
▸ RAB9A P51151 8/20 0.61
▸ NPC1 O15118 7/20 0.61
▸ JAK2 O60674 3/20 0.61
▸ JAK1 P23458 2/20 0.61
▸ PRKD3 O94806 1/20 0.60
▸ MAP4K4 O95819 1/20 0.60
▸ RPS6KB1 P23443 1/20 0.60
▸ CLK2 P49760 1/20 0.60
▸ DYRK1A Q13627 1/20 0.60
▸ PRKG1 Q13976 1/20 0.60
▸ PRKD2 Q9BZL6 1/20 0.60
▸ CLK4 Q9HAZ1 1/20 0.60
▸ SGK2 Q9HBY8 1/20 0.60
▸ STK17A Q9UEE5 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MAOB P27338 4/20 0.59
▸ POLB P06746 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
SCHEMBL15764665 0.81 MAOB (0.70) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL5415932 0.81 MAOB (0.69) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL8808812 0.80 NPC1 (0.65) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL5415117 0.80 MAOB (0.80) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL5707229 0.78 NPC1 (0.72) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL15764666 0.78 NPC1 (0.81) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL7261149 0.78 NPC1 (0.68) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL1163706 0.78 ROCK2 (0.74) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL15764669 0.78 NPC1 (0.76) ROCK2ROCK1RAB9ANPC1JAK2
SCHEMBL5405791 0.78 MAOB (0.65) ROCK2ROCK1RAB9ANPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 — — US disclosed
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