SCHEMBL9525928

SCHEMBL9525928

O=c1[nH]c(-c2ccc3c(c2)CCCC3)ccc1-c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 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
SCHEMBL9525656 0.79 NOTUM (0.40) MEN1MAPTKMT2A
SCHEMBL9528858 0.78 TNKS (0.44) ALDH1A1HPGDTBK1
SCHEMBL9251638 0.78 PTGER3 (0.46)
SCHEMBL9700393 0.76
SCHEMBL9700756 0.75 SNCA (0.37) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL9701671 0.75 BRD4 (0.42) ALDH1A1HPGD
SCHEMBL9754463 0.75 PTGER3 (0.39)
SCHEMBL14134822 0.74 CYP11B1 (0.37) CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A
SCHEMBL9700663 0.73 MAPT (0.36) MAPT
SCHEMBL9700635 0.72 GAA (0.39) SMN1; SMN2ALDH1A1MEN1MAPTHPGD

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed