SCHEMBL6471899

SCHEMBL6471899

C=C(C)C(=O)NCc1sc2ccccc2c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGS2 P35354 3/20 0.39
HSD11B1 P28845 1/20 0.39
CNR2 P34972 3/20 0.37
TSHR P16473 2/20 0.37
CNR1 P21554 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL701389 0.77 TAS1R3 (1.00) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL6323143 0.76 TAS1R3 (0.49) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL15054020 0.75 TAS1R3 (0.50) TAS1R3TAS1R1PTGS2NPC1MAPT
SCHEMBL12359739 0.74 PRNP (0.45) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL1253465 0.74 TAS1R3 (0.47) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL183463 0.72 ALDH1A1 (0.59) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10315719 0.72 PRNP (0.47) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL30693720 0.71 PRNP (0.49) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL13973068 0.71 TAS1R3 (0.45) TAS1R3TAS1R1PRNPRXFP1HSD11B1
SCHEMBL586189 0.71 PRNP (0.49) TAS1R3TAS1R1PRNPRXFP1HSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP disclosed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed