SCHEMBL30459971

SCHEMBL30459971

NC(=O)c1ccc2c(c1)C1(CCC1)CN2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
IP6K1 Q92551 4/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
MAPK14 Q16539 1/20 0.38
OPRM1 P35372 2/20 0.37
TSHR P16473 1/20 0.35
PDK2 Q15119 1/20 0.35
OPRD1 P41143 2/20 0.34
OPRK1 P41145 1/20 0.34
MAP4K1 Q92918 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL30460002 0.94 KDM1A (0.43) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL15129628 0.87 KDM1A (0.39) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL15129836 0.87 KDM1A (0.39) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL16266581 0.86 KDM1A (0.38) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL31390939 0.85 MAPK14 (0.43) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL17444524 0.83 KDM1A (0.43) KDM1AIP6K1SIRT2MAPK14TSHR
SCHEMBL29041923 0.82 MAP4K1 (0.35) MAP4K1KCNH2HDAC1RARARARB
SCHEMBL29930072 0.82 KDM4E (0.44) KDM1AIP6K1RARARARBRARG
SCHEMBL22058140 0.78 KDM1A (0.40) KDM1AIP6K1SIRT2MAPK14OPRM1
SCHEMBL29930324 0.77 LMNA (0.41) IP6K1PDK2

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