SCHEMBL19212298

SCHEMBL19212298

CC(=O)SCC(=O)NCCc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.49
▸ MAPT P10636 7/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ LMNA P02545 4/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ GFER P55789 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ ALOX12 P18054 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL19212427 0.85 TAAR1 (0.43) TAAR1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL22957596 0.85 SMN1; SMN2 (0.53) TAAR1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL19212263 0.82 SMN1; SMN2 (0.49) TAAR1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21457821 0.75 NAMPT (0.53) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL19212222 0.74 ME2 (0.50) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL19210942 0.72 SMN1; SMN2 (0.56) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL29939233 0.72 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL29414364 0.71 ME2 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAGFER
SCHEMBL5998572 0.71 HDAC3 (0.71) TAAR1LMNARAB9ATSHRHDAC3
SCHEMBL23928222 0.71 KMT2A (0.53) ALDH1A1NPC1HTR2AHTR2CHTR2B

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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