SCHEMBL8891102

SCHEMBL8891102

COC(=O)c1ccccc1Cc1cccc(SC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL905244 0.81 ALDH1A1 (0.63) MAPTL3MBTL1RECQLALDH1A1LMNA
SCHEMBL28348313 0.81 ALDH1A1 (0.49) MAPTALDH1A1LMNATSHRCYP1A2
Bicarbonate SCHEMBL27492793 0.79 ALDH1A1 (0.62) MAPTL3MBTL1RECQLALDH1A1LMNA
SCHEMBL12812255 0.77 KDM4E (0.52) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL70322 0.77 ALDH1A1 (0.66) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL5438152 0.76 PPARG (0.53) L3MBTL1ALDH1A1LMNAKDM4EPOLB
SCHEMBL29054211 0.76 ALDH1A1 (0.50) MAPTALDH1A1LMNATSHRCYP1A2
SCHEMBL8890704 0.76 L3MBTL1 (0.55) MAPTL3MBTL1RECQLALDH1A1LMNA
SCHEMBL9031505 0.76 LOXL2 (0.56) MAPTL3MBTL1RECQLALDH1A1LMNA
SCHEMBL70372 0.74 TSHR (0.57) MAPTL3MBTL1ALDH1A1LMNATSHR

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed