SCHEMBL11096980

SCHEMBL11096980

CSC=C(SC)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 12/20 0.48
CES1 P23141 11/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
XBP1 P17861 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL20865759 0.84 CES2 (0.52) MEN1KMT2ACES2CES1MAPT
SCHEMBL23934158 0.78 MEN1 (0.46) MEN1KMT2ACES2CES1MAPT
SCHEMBL9818400 0.78 RAB9A (0.46) MEN1KMT2ACES2CES1MAPT
SCHEMBL11721438 0.73 ALDH1A1 (0.54) MEN1KMT2ACES2CES1MAPT
SCHEMBL10418288 0.70 SMN1; SMN2 (0.46) MEN1KMT2ACES2CES1MAPT
SCHEMBL28736082 0.69 CES2 (0.54) MEN1KMT2ACES2CES1MAPT
Benzil SCHEMBL27655380 0.69 CES2 (0.88) CES2CES1MAPTALDH1A1LMNA
Benzil SCHEMBL4832229 0.69 CES2 (0.88) CES2CES1MAPTALDH1A1LMNA
SCHEMBL24729196 0.69 KDM1A (0.42) MEN1KMT2ACES2CES1MAPT
Benzil SCHEMBL66 0.68 CES2 (1.00) MEN1KMT2ACES2CES1MAPT

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
US-4476313-A PHOTOCOPYING RENSSELAER POLYTECHNIC INSTITUTE (US) 1984-10-09 US disclosed