SCHEMBL28091311

SCHEMBL28091311

CC1=NN(c2cccc(Cl)n2)C(C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.40
▸ HTR3B O95264 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ HTR3D Q70Z44 3/20 0.40
▸ HTR3C Q8WXA8 3/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ XPO1 O14980 1/20 0.32
▸ TERT O14746 5/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL27447779 0.77 CD274 (0.46) MEN1KMT2AALDH1A1TERTKDM4E
SCHEMBL28523211 0.76 KMT2A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27369841 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TERTKDM4E
SCHEMBL25178380 0.73 MAPT (0.48) MEN1KMT2ACYP1A2TSHRALDH1A1
SCHEMBL28436430 0.70 MAPT (0.40) ALDH1A1GAAL3MBTL1TERTKDM4E
SCHEMBL27995307 0.70 TERT (0.36) MEN1KMT2AL3MBTL1TERTHPGD
SCHEMBL27732171 0.69 TERT (0.40) MEN1KMT2ATSHRALDH1A1TERT
SCHEMBL28091527 0.69 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28158503 0.68 TERT (0.35) KMT2ATSHRALDH1A1TERTMAPT
SCHEMBL28433432 0.68 MAPT (0.38) MEN1KMT2ATSHRALDH1A1GAA

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-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 — — CN disclosed
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