SCHEMBL2785129

SCHEMBL2785129

COc1ccc(C(C)=O)cc1-c1ccc(NC(=O)Oc2snnc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SYK P43405 5/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ INCENP Q9NQS7 2/20 0.40
▸ HPSE Q9Y251 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ AGPAT2 O15120 1/20 0.38

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
SCHEMBL2787427 0.88 STIM1 (0.48) MAPTABL1POLBTP53SMN1; SMN2
SCHEMBL1828387 0.84 LMNA (0.52) MAPTABL1POLBTP53SMN1; SMN2
SCHEMBL16456511 0.81 IMPDH2 (0.44) —
SCHEMBL2785171 0.72 CYP3A4 (0.41) MAPTPOLBTP53SMN1; SMN2AURKB
SCHEMBL1827209 0.72 ORAI1 (0.56) MAPTABL1POLBSMN1; SMN2NPC1
SCHEMBL16456528 0.71 ABL1 (0.42) ABL1
SCHEMBL16456595 0.71 MAPK14 (0.37) MAPTPOLBCYP3A4MEN1KMT2A
SCHEMBL17644785 0.69 IL2 (0.46) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16363177 0.69 LMNA (0.52) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL2784228 0.69 KDM4E (0.42) MAPTPOLBSMN1; SMN2NPC1RAB9A

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
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP claimed
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