SCHEMBL9701825

SCHEMBL9701825

O=c1cccc(-c2cccc(Cl)c2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.62
BRD4 O60885 1/20 0.57
SCN2A Q99250 1/20 0.47
MAP2K1 Q02750 1/20 0.47
IDO1 P14902 1/20 0.47
PGR P06401 2/20 0.46
DHFR P00374 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5674033 0.80 NOTUM (0.67) NOTUMSCN2AMAP2K1IDO1KDM4E
SCHEMBL11204644 0.79 MEN1 (0.58) NOTUMMAP2K1KDM4EGAAHTT
SCHEMBL1384813 0.77 NOTUM (1.00) NOTUMMAP2K1KDM4EALDH1A1LMNA
SCHEMBL25078457 0.77 NOTUM (0.62) NOTUMMAP2K1KDM4EALDH1A1LMNA
SCHEMBL7368040 0.77 NOTUM (0.62) NOTUMMAP2K1IDO1ALDH1A1GAA
SCHEMBL8986949 0.75 NOTUM (0.50) NOTUMBRD4SCN2APGRKDM4E
SCHEMBL237434 0.74 IDO1 (0.56) NOTUMBRD4SCN2AIDO1KDM4E
SCHEMBL8535240 0.73 NOTUM (0.68) NOTUMMAP2K1KDM4EALDH1A1
SCHEMBL5210215 0.73 BRD4 (0.53) NOTUMBRD4SCN2AIDO1PGR
SCHEMBL24732324 0.73 NOTUM (0.56) NOTUMMAP2K1IDO1KDM4EALDH1A1

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed