SCHEMBL21260934

SCHEMBL21260934

CNc1sc2c(c1C(=O)O)CC(C)(C)CC2(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.73
▸ RAB7A P51149 2/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAP2K2 P36507 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ CFTR P13569 3/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PTPRC P08575 1/20 0.30
▸ PTPRB P23467 1/20 0.30
▸ PTPRE P23469 1/20 0.30

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
SCHEMBL21247337 0.79 PTPN1 (0.68) PTPN1RAB7AKMT2AALDH1A1MAPT
SCHEMBL22655236 0.79 PTPN1 (0.60) PTPN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21247234 0.77 PTPN1 (0.64) PTPN1RAB7AKMT2AALDH1A1MAPT
SCHEMBL21260703 0.75 CFTR (0.54) PTPN1CFTR
SCHEMBL21247200 0.75 PTPN1 (0.61) PTPN1RAB7AKMT2AALDH1A1MAPT
SCHEMBL21018391 0.75 PTPN1 (0.46) PTPN1
SCHEMBL19320871 0.74 PTPN1 (0.55) PTPN1
SCHEMBL21261018 0.74 PTPN1 (0.60) PTPN1RAB7AKMT2AALDH1A1MAPT
SCHEMBL21261016 0.74 PTPN1 (0.60) PTPN1RAB7AKMT2AALDH1A1MAPT
SCHEMBL21260980 0.73 RAB7A (0.58) PTPN1RAB7AKMT2AALDH1A1MAPT

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-2019154950-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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