SCHEMBL9702213

SCHEMBL9702213

COc1nc2ccccc2n1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ASAH1 Q13510 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 5/20 0.40
HTT P42858 2/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.39
CDK5 Q00535 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL459471 0.78 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL30189629 0.78 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3974206 0.77 SMN1; SMN2 (0.44) NQO2SMN1; SMN2ASAH1RAB9ANPC1
SCHEMBL12792071 0.74 KMT2A (0.55) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL13071550 0.74 CYP1A2 (0.59) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL374825 0.74 HTT (0.55) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3972779 0.73 LMNA (0.48) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3397764 0.73 L3MBTL1 (0.65) SMN1; SMN2ASAH1LMNATP53KDM4E
SCHEMBL27993098 0.72 TSHR (0.62) SMN1; SMN2LMNATP53KDM4EHTT
SCHEMBL30838371 0.72 RPS6KB1 (0.49) TP53PDE10A

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-0484265-A1 A process for the preparation of omeprazol CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1992-05-06 EP disclosed