SCHEMBL22471896

SCHEMBL22471896

O=C(O)c1cc(-c2cccs2)nc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PRNP P04156 1/20 0.64
PPARG P37231 1/20 0.64
NCOR2 Q9Y618 1/20 0.64
TP53 P04637 4/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 3/20 0.56
DHODH Q02127 3/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 8/20 0.50
UBE2I P63279 1/20 0.47
SAE1 Q9UBE0 1/20 0.47

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
SCHEMBL1896811 0.82 DHODH (0.72) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL6309512 0.80 DHODH (0.73) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL13253477 0.79 TP53 (0.56) RXFP1MEN1KMT2ATP53KDM4E
SCHEMBL1896825 0.78 MEN1 (0.73) RXFP1MEN1KMT2APRNPPPARG
SCHEMBL1898200 0.78 KMT2A (0.73) RXFP1MEN1KMT2APRNPPPARG
SCHEMBL6304386 0.78 DHODH (0.74) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL29290339 0.78 DHODH (0.73) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL4461418 0.78 KDM4E (0.74) RXFP1MEN1KMT2APRNPPPARG
SCHEMBL30064775 0.78 KDM4E (0.74) RXFP1MEN1KMT2APRNPPPARG
SCHEMBL1899779 0.77 STAT3 (0.73) MEN1KMT2AKDM4EALDH1A1DHODH

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-113613730-A Quinoline carboxamide derivative and process for producing intermediate for producing same 株式会社益力多本社 2021-11-05 CN disclosed
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 WO disclosed