SCHEMBL30460002

SCHEMBL30460002

NC(=O)c1ccc2c(c1)C1(CC1)CN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
IP6K1 Q92551 4/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
TSHR P16473 1/20 0.37
MAPK14 Q16539 1/20 0.36
PDK2 Q15119 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
LCK P06239 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30459971 0.94 KDM1A (0.41) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL15129836 0.90 KDM1A (0.39) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL15129628 0.90 KDM1A (0.39) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL16266581 0.89 KDM1A (0.38) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL17444524 0.89 KDM1A (0.43) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL31390939 0.81 MAPK14 (0.43) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL22058140 0.80 KDM1A (0.40) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL16165972 0.79 KDM1A (0.39) KDM1AIP6K1SIRT2OPRM1OPRD1
Bromide SCHEMBL20954964 0.79 KDM1A (0.39) KDM1AIP6K1SIRT2TSHRMAPK14
SCHEMBL30468541 0.79 TSHR (0.40) KDM1AIP6K1SIRT2TSHRMAPK14

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
CN-116457346-A Preparation of indolone derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-07-18 CN disclosed