SCHEMBL23616751

SCHEMBL23616751

Cc1ccc(S(=N)(=O)OCCOc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2386879 0.88 CA12 (0.49) NPC1L3MBTL1MAOBPOLBCA12
SCHEMBL2468529 0.79 MAPT (0.45) NPC1L3MBTL1PARP10MAPTALDH1A1
SCHEMBL11937426 0.78 MAOB (0.52) NPC1L3MBTL1MAOBPARP10MAPT
SCHEMBL8675724 0.75 L3MBTL1 (0.44) L3MBTL1MAOBPOLBPARP10MAPT
SCHEMBL15828758 0.73 MAPT (0.54) NPC1L3MBTL1PARP10MAPTALDH1A1
SCHEMBL19998344 0.73 PKM (0.64) NPC1L3MBTL1POLBPARP10MAPT
SCHEMBL4762074 0.73 CYP19A1 (0.48) L3MBTL1PARP10MAPTCYP1A2CYP3A4
SCHEMBL22109658 0.73 TDP1 (0.47) NPC1L3MBTL1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL20521381 0.72 SMN1; SMN2 (0.50) L3MBTL1PARP10MAPTCYP1A2CYP3A4
SCHEMBL24161906 0.72 MAPT (0.49) NPC1L3MBTL1PARP10MAPTALDH1A1

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
EP-3464490-B1 PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA NV (BE) 2021-07-07 EP disclosed