SCHEMBL23340883

SCHEMBL23340883

N#CSCc1ccc(Br)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
PRNP P04156 1/20 0.31
HTR6 P50406 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
SCHEMBL958435 0.79 CSNK2A1 (0.41) SLC22A12HTTMAPTHPGDALDH1A1
SCHEMBL20738269 0.76 CYP1A1 (0.45) MAPTHPGDALDH1A1CYP1A2KDM4E
SCHEMBL29704576 0.73 CYP1A2 (0.64) HTTMAPTHPGDALDH1A1HSP90AA1
SCHEMBL20150978 0.73 SLC22A12 (0.39) SLC22A12HTTMAPTHPGDALDH1A1
SCHEMBL8764187 0.73 CYP1A2 (0.42) HTTMAPTHPGDALDH1A1HSP90AA1
SCHEMBL5752787 0.71 RXFP1 (0.41) SLC22A12HTTMAPTKDM4ESMN1; SMN2
SCHEMBL9314804 0.71 MAPT (0.39) SLC22A12HTTMAPTALDH1A1KDM4E
SCHEMBL29842323 0.71 SLC22A12 (0.38) SLC22A12HTTMAPTALDH1A1KDM4E
SCHEMBL1229310 0.71 SLC22A12 (0.38) SLC22A12HTTMAPTALDH1A1KDM4E
SCHEMBL31281348 0.71 RXFP1 (0.41) SLC22A12HTTMAPTKDM4ESMN1; SMN2

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
EP-3480188-B1 METHOD FOR PREPARING URATE TRANSPORTER 1 INHIBITOR TIANJIN INSTITUTE OF PHARMACEUTICAL RES CO LTD (CN) 2021-05-05 EP disclosed