SCHEMBL28136165

SCHEMBL28136165

CN1c2ccccc2CCC1(Cl)C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
USP2 O75604 1/20 0.36
CDK4 P11802 1/20 0.36
ALOX15 P16050 1/20 0.36
CCND1 P24385 1/20 0.36
NOTUM Q6P988 3/20 0.36
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
TP53 P04637 1/20 0.35
HSD17B3 P37058 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC22A2 O15244 2/20 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
SCHEMBL28136163 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL28136891 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL28144033 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL787597 0.73 ALDH1A1 (0.45) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL20952937 0.69 ALDH1A1 (0.40) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL27690393 0.68 NOTUM (0.41) MEN1KMT2AALDH1A1NOTUMHTR2C
SCHEMBL14337678 0.68 NOTUM (0.42) MEN1KMT2AALDH1A1NOTUMTP53
SCHEMBL27935817 0.67 ALDH1A1 (0.47) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL28230721 0.66 ALDH1A1 (0.41) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL27545376 0.65 HSD17B3 (0.35) MEN1KMT2AALDH1A1NOTUMTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660998-B Pyrazolyl-3, 4-dihydroquinolin-2-one aldosterone synthase inhibitors 豪夫迈·罗氏有限公司 2019-10-25 CN disclosed
CN-106660998-A Pyrazolyl-3, 4-dihydroquinolin-2-one aldosterone synthase inhibitors 豪夫迈·罗氏有限公司 2017-05-10 CN disclosed