SCHEMBL6129059

SCHEMBL6129059

Cc1ccccc1Sc1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.50
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PARP1 P09874 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 1/20 0.43
ICAM1 P05362 2/20 0.43
SELE P16581 2/20 0.43
VCAM1 P19320 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL27809567 0.86 ALDH1A1 (0.47) SIRT1L3MBTL1MAPTTDP1POLB
SCHEMBL24718397 0.84 RXRA (0.52) SIRT1L3MBTL1MAPTTDP1TSHR
SCHEMBL13239474 0.84 HPGD (0.65) SIRT1L3MBTL1MAPTTDP1HPGD
SCHEMBL29539997 0.83 ALDH1A1 (0.49) SIRT1L3MBTL1MAPTTDP1HPGD
SCHEMBL181631 0.83 ALDH1A1 (0.49) SIRT1L3MBTL1MAPTTDP1HPGD
SCHEMBL6630671 0.81 SIRT1 (0.77) SIRT1L3MBTL1MAPTTDP1CYP2C19
Urea SCHEMBL28254322 0.79 ICAM1 (0.50) SIRT1L3MBTL1MAPTHSD17B10POLB
SCHEMBL6129061 0.79 RAB9A (0.49) SIRT1L3MBTL1MAPTPARP1POLB
SCHEMBL29895720 0.78 CES2 (0.54) L3MBTL1MAPTTDP1CYP2C19HPGD
SCHEMBL2978952 0.77 HPGD (0.64) SIRT1L3MBTL1MAPTTDP1CYP2C19

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
WO-2005047237-A1 METHOD FOR SYNTHESISING DIARYL SULPHIDE COMPOUNDS IN A SOLID PHASE GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-05-26 WO claimed
WO-2005047237-A1 METHOD FOR SYNTHESISING DIARYL SULPHIDE COMPOUNDS IN A SOLID PHASE GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-05-26 WO disclosed