SCHEMBL9701671

SCHEMBL9701671

O=c1[nH]c(-c2cccc(Cl)c2)ccc1-c1nnn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
NOTUM Q6P988 2/20 0.41
SCN2A Q99250 1/20 0.41
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 4/20 0.39
NPY5R Q15761 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL9700756 0.85 SNCA (0.37) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL9525656 0.83 NOTUM (0.40) NOTUMKDM4EGAAHTTNPY5R
SCHEMBL9700666 0.81 ALDH1A1 (0.53) NOTUMKDM4EALDH1A1LMNAGLA
SCHEMBL9700407 0.81 IDO1 (0.41) NOTUMKDM4EALDH1A1LMNAGLA
SCHEMBL9700701 0.81 NOTUM (0.41) NOTUMKDM4EALDH1A1LMNAGLA
SCHEMBL9700679 0.81 MAOA (0.37) NOTUMKDM4E
SCHEMBL9251638 0.80 PTGER3 (0.46)
SCHEMBL9528770 0.79 KDM4E (0.48) BRD4NOTUMKDM4EALDH1A1LMNA
SCHEMBL9700393 0.77
SCHEMBL9526113 0.77 MAPT (0.41) KDM4EALDH1A1LMNAGLAGAA

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