SCHEMBL28386992

SCHEMBL28386992

CNc1cn(C)c2c(Cl)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ PSMB8 P28062 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ PTPN11 Q06124 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ ESR1 P03372 1/20 0.32

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
SCHEMBL28383417 0.80 ALKBH5 (0.42) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL12918296 0.76 CYP1A2 (0.41) USP2CYP1A2CYP2A6CDK2PSMB8
SCHEMBL1092203 0.75 PTGS2 (0.43) MEN1KMT2ACYP1A2CYP2A6CDK2
SCHEMBL30564423 0.74 CYP1A2 (0.39) CYP1A2CYP2A6CDK2PSMB8PRMT5
SCHEMBL20588288 0.70 PNMT (0.46) CYP1A2CYP2A6CDK2PRMT5PTPN11
SCHEMBL838056 0.70 ALDH1A1 (0.54) MEN1KMT2ACYP1A2CYP2A6KDM4E
SCHEMBL18857084 0.69 GPR84 (0.57) MEN1KMT2ACDK2KDM4EALDH1A1
SCHEMBL25669450 0.69 MEN1 (0.39) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL22450706 0.69 BRD4 (0.54) KMT2ACDK2ALDH1A1POLBNR4A2
SCHEMBL28831936 0.69 CDK2 (0.47) MEN1KMT2ACDK2KDM4EALDH1A1

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-111032654-A Bicyclic heteroaromatic urea or carbamate compounds for use in therapy 欧洲分子生物学实验室 2020-04-17 — — CN disclosed
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