SCHEMBL9701567

SCHEMBL9701567

N#Cc1ccc(-c2sccc2-c2ccccc2)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.50
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 3/20 0.48
GALR3 O60755 1/20 0.48
GLA P06280 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.46
PIM1 P11309 4/20 0.40
KMT2A Q03164 3/20 0.40
BIRC5 O15392 2/20 0.40
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PTGS2 P35354 1/20 0.39
MCL1 Q07820 2/20 0.38
PTGS1 P23219 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4474609 0.79 MDM2 (0.62) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL9701360 0.77 MDM2 (0.45) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL9701575 0.76 MDM2 (0.59) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL8382823 0.76 ESR2 (0.47) KDM4EALDH1A1GAAHPGDGALR3
SCHEMBL19411747 0.72 MDM2 (0.49) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL9700691 0.71 PTGS2 (0.35) KDM4EALDH1A1L3MBTL1ATMKMT2A
SCHEMBL7256598 0.71 PIM1 (0.58) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9702576 0.70 KDM4E (0.38) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL9526258 0.69 KDM4E (0.64) MDM2KDM4EALDH1A1GAAHPGD
SCHEMBL9526262 0.69 ALDH1A1 (0.67) MDM2KDM4EALDH1A1GAAHPGD

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