SCHEMBL21247303

SCHEMBL21247303

Cc1n[nH]cc1C(=O)Nc1sc2c(c1C(=O)O)CC(C)(C)CC2(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.59
▸ CFTR P13569 8/20 0.38
▸ KMT2A Q03164 8/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB7A P51149 1/20 0.35

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
SCHEMBL21247292 0.82 RAB7A (0.54) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL21247216 0.80 FABP4 (0.48) PTPN1KMT2AMEN1LMNAHTT
SCHEMBL21247337 0.77 PTPN1 (0.68) PTPN1KMT2AMEN1LMNAKDM4E
SCHEMBL21247200 0.75 PTPN1 (0.61) PTPN1CFTRKMT2AMEN1LMNA
SCHEMBL21247234 0.74 PTPN1 (0.64) PTPN1KMT2AMEN1LMNAKDM4E
SCHEMBL21261018 0.74 PTPN1 (0.60) PTPN1CFTRKMT2AMEN1LMNA
SCHEMBL21261016 0.74 PTPN1 (0.60) PTPN1CFTRKMT2AMEN1LMNA
SCHEMBL21260934 0.73 PTPN1 (0.73) PTPN1CFTRKMT2AMEN1LMNA
SCHEMBL21247155 0.71 PTPN1 (0.56) PTPN1KMT2AMEN1LMNAKDM4E
SCHEMBL22655236 0.66 PTPN1 (0.60) PTPN1KMT2AMEN1LMNAKDM4E

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
EP-3749659-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 — — EP disclosed
WO-2019154950-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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