SCHEMBL14222746

SCHEMBL14222746

Cc1cccc(F)c1C(=O)Nc1nc2c(s1)-c1cccc(C(=N)NO)c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ USP2 O75604 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ CFTR P13569 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL14172583 0.94 MAPT (0.47) TP53MAPTKDM4EUSP2HTT
SCHEMBL14222750 0.86 TP53 (0.45) TP53MAPTKDM4EUSP2HTT
SCHEMBL14223146 0.83 ALDH1A1 (0.47) TP53MAPTKDM4EUSP2HTT
SCHEMBL14172573 0.82 MAPT (0.49) TP53MAPTKDM4EUSP2HTT
SCHEMBL14172571 0.81 ALDH1A1 (0.46) TP53MAPTKDM4EUSP2HTT
SCHEMBL14172810 0.81 MAPT (0.47) TP53MAPTKDM4EUSP2HTT
SCHEMBL14222426 0.81 KDM4E (0.48) TP53MAPTKDM4EUSP2HTT
SCHEMBL14172578 0.80 ALDH1A1 (0.47) TP53MAPTKDM4EUSP2HTT
SCHEMBL14172527 0.79 MAPT (0.46) TP53MAPTKDM4EUSP2HTT
SCHEMBL12796187 0.78 GAA (0.44) TP53MAPTKDM4EUSP2HTT

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
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 — — WO disclosed
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