SCHEMBL16434111

SCHEMBL16434111

Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(I)c(=O)n4C)n2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ RXFP1 Q9HBX9 4/20 0.55
▸ GAA P10253 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PORCN Q9H237 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL16440384 0.92 MAPT (0.73) MAPTSMN1; SMN2LMNARXFP1GAA
SCHEMBL16434502 0.83 MAPT (0.55) MAPTSMN1; SMN2LMNARXFP1GAA
SCHEMBL10114670 0.79 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166618 0.79 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL9972920 0.78 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL3265924 0.78 MAPT (0.71) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166649 0.78 SMN1; SMN2 (0.82) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL27793543 0.78 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166643 0.77 RXFP1 (0.72) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL10114087 0.77 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1CYP1A2

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-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 — — EP disclosed
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