SCHEMBL9701360

SCHEMBL9701360

Cc1ccsc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.45
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 3/20 0.36
GALR3 O60755 1/20 0.36
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL9701567 0.77 MDM2 (0.50) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL9702576 0.77 KDM4E (0.38) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL7375974 0.73 KDM4E (0.48) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL7256598 0.72 PIM1 (0.58) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL1201107 0.69 KDM4E (0.53) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL9530249 0.69 KDM4E (0.38) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL1463691 0.68 CYP19A1 (0.36) KDM4EALDH1A1CYP2C19
SCHEMBL11937881 0.68 CYP3A4 (0.38) KDM4EALDH1A1LMNATSHRCYP2C19
SCHEMBL4474609 0.67 MDM2 (0.62) MDM2KDM4EALDH1A1GAAL3MBTL1
SCHEMBL9700418 0.67 CYP2A6 (0.34) KDM4EALDH1A1CYP2C19

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