SCHEMBL19212263

SCHEMBL19212263

O=C(CS)NCCc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CNR1 P21554 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SCD O00767 1/20 0.44
▸ ME2 P23368 1/20 0.43
▸ ME1 P48163 1/20 0.43
▸ ME3 Q16798 1/20 0.43
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL19212452 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MAPTNPC1ALDH1A1LMNA
SCHEMBL19212298 0.82 TAAR1 (0.49) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL21457821 0.78 NAMPT (0.53) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL19210942 0.77 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL29939233 0.76 ALDH1A1 (0.53) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL19212222 0.76 ME2 (0.50) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL29939249 0.75 MAPT (0.61) SMN1; SMN2MAPTNPC1ALDH1A1GAA
SCHEMBL1136936 0.74 CHKA (0.54) MAPTALDH1A1LMNAME2ME1
SCHEMBL13505609 0.73 CNR1 (0.47) SMN1; SMN2MAPTNPC1ALDH1A1CNR1
SCHEMBL5807537 0.73 HDAC3 (0.60) SMN1; SMN2NPC1ALDH1A1GAATAAR1

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-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 — — EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 — — WO disclosed
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