SCHEMBL9700407

SCHEMBL9700407

CSc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
GCK P35557 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL9700679 0.87 MAOA (0.37) GCKKDM4EMAPTRAB9AL3MBTL1
SCHEMBL9700772 0.84 XDH (0.35) GCKKDM4EALDH1A1GAALMNA
SCHEMBL9701671 0.81 BRD4 (0.42) IDO1KDM4EALDH1A1GAALMNA
SCHEMBL9700756 0.81 SNCA (0.37) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL9700666 0.81 ALDH1A1 (0.53) KDM4EALDH1A1GAALMNAGLA
SCHEMBL9700701 0.81 NOTUM (0.41) IDO1KDM4EALDH1A1GAALMNA
SCHEMBL8007196 0.79 IDO1 (0.46) IDO1LMNAMAPTSMN1; SMN2ALOX5
SCHEMBL9528770 0.78 KDM4E (0.48) KDM4EALDH1A1GAAUSP2LMNA
SCHEMBL9251638 0.77 PTGER3 (0.46) PTGER3
SCHEMBL9526113 0.77 MAPT (0.41) KDM4EALDH1A1GAALMNAMAPT

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