SCHEMBL28915965

SCHEMBL28915965

Nc1nccc(-c2ccccc2O)c1C1CC1.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PBRM1 Q86U86 9/20 0.36
▸ SMARCA2 P51531 7/20 0.36
▸ SMARCA4 P51532 7/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ IKBKB O14920 2/20 0.35
▸ NR1I2 O75469 6/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34

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
SCHEMBL16196249 0.71 MKNK1 (0.47) SMN1; SMN2PBRM1SMARCA2SMARCA4KDM1A
SCHEMBL22493647 0.66 USP7 (0.35) USP7
SCHEMBL26471836 0.66 USP7 (0.35) USP7
SCHEMBL28907422 0.66 NOS3 (0.37) USP7
SCHEMBL26686534 0.66 USP7 (0.35) USP7
SCHEMBL23901911 0.66 USP7 (0.35) USP7
SCHEMBL27941436 0.66 GSK3A (0.42) SMN1; SMN2PBRM1SMARCA2SMARCA4KDM1A
SCHEMBL27718025 0.65 CHRM2 (0.46) SMN1; SMN2KDM1ACHRM2CHRM4CHRM5
Potassium Ion SCHEMBL28907435 0.65 USP7 (0.34) USP7
SCHEMBL18081028 0.65 PBRM1 (0.60) PBRM1SMARCA2SMARCA4IKBKBNR1I2

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-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 — — CN disclosed
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