SCHEMBL9700772

SCHEMBL9700772

CCCCSc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 5/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.30
GCK P35557 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9700407 0.84 IDO1 (0.41) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL9701382 0.82 SMN1; SMN2 (0.42) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL9700679 0.81 MAOA (0.37) KDM4EMAPTKMT2AGCK
SCHEMBL9702587 0.80 ALDH1A1 (0.41) XDHALDH1A1KDM4EHTTTSHR
SCHEMBL9700701 0.79 NOTUM (0.41) ALDH1A1KDM4EMAPTMAPK1SMN1; SMN2
SCHEMBL9526113 0.79 MAPT (0.41) ALDH1A1KDM4EHTTTSHRMAPT
SCHEMBL9528770 0.77 KDM4E (0.48) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL9701387 0.76 CYP2C9 (0.47) XDHSMN1; SMN2LMNAHPGDCYP1A2
SCHEMBL9701671 0.76 BRD4 (0.42) ALDH1A1KDM4EHTTGAALMNA
SCHEMBL9700756 0.76 SNCA (0.37) ALDH1A1KDM4EHTTTSHRMAPT

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