SCHEMBL30768210

SCHEMBL30768210

COC(=O)c1ccc([C@H]2C[C@H](O)CCN2Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CFB P00751 5/20 0.48
CHRM4 P08173 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL21625238 1.00 MEN1 (0.50) MEN1KMT2ACFBCHRM4CYP3A4
SCHEMBL28540053 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL30052834 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL28529378 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL29148961 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL24179625 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL30053112 0.81 SIGMAR1 (0.47) KDM1A
SCHEMBL3890628 0.80 CFB (0.47) CFBALDH1A1MAPT
SCHEMBL6497571 0.80 CFB (0.47) MEN1KMT2ACFBALDH1A1MAPT
SCHEMBL3901486 0.80 NPC1 (0.45) CFBOPRM1OPRK1KDM1A

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-117500499-A Substituted indole compounds and methods of use thereof 奇努克治疗公司 2024-02-02 CN disclosed