SCHEMBL14615292

SCHEMBL14615292

Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1NC(=O)CN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.69
▸ CYP1A2 P05177 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ MAPK14 Q16539 1/20 0.65
▸ SMO Q99835 1/20 0.65
▸ TP53 P04637 6/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ ALDH1A1 P00352 5/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ THRB P10828 3/20 0.60
▸ NRP1 O14786 1/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HTT P42858 2/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL14615293 0.88 MAPT (0.72) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13679553 0.87 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13679550 0.86 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL14615278 0.82 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13679543 0.82 MAPT (0.79) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL25211422 0.81 MAPK14 (0.79) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL30445799 0.81 MAPK14 (0.79) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL16782299 0.81 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL14615274 0.80 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL14615276 0.80 MAPT (0.76) MAPTCYP1A2CYP3A4CYP2C19NPC1

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
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
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