SCHEMBL28945945

SCHEMBL28945945

COc1c(C(=O)O)c(I)nn1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8308002 0.79 KDM4E (0.56) KDM4EMAPTCA12CA1CA2
SCHEMBL38651627 0.77 PKM (0.35) KDM4EMAPTPOLB
SCHEMBL11487909 0.75 KDM4E (0.36) KDM4EMAPTCA12CA1CA2
SCHEMBL18603294 0.75 KDM4E (0.43) KDM4EMAPTALDH1A1POLB
SCHEMBL21721500 0.65
SCHEMBL877015 0.63 MAPT (0.64) KDM4EMAPTALDH1A1POLB
SCHEMBL24133585 0.62 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL20709970 0.62 CSF1R (0.31) KDM4EMAPTPOLB
SCHEMBL21737391 0.61 ADORA2A (0.31)
SCHEMBL11478543 0.61 KDM4E (0.39) KDM4EMAPTCA12CA1CA2

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-115667273-A Competitive and non-competitive inhibitors of muscarinic acetylcholine receptor M5 范德堡大学 2023-01-31 CN disclosed