SCHEMBL9524498

SCHEMBL9524498

CSc1cccc(-c2cc[nH]c(=O)c2C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.40
PIM1 P11309 4/20 0.39
PPARG P37231 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
BIRC5 O15392 1/20 0.39
BRD4 O60885 1/20 0.38
GAA P10253 3/20 0.37
GALR3 O60755 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
GLA P06280 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
SCHEMBL19086336 0.79 ATM (0.57) KDM4EALDH1A1KMT2AATMPIM1
SCHEMBL10709427 0.71 MET (0.48) KDM4EALDH1A1KMT2AATMPIM1
SCHEMBL24913266 0.70 ESR2 (0.46) KDM4EALDH1A1IDO1GAAGALR3
SCHEMBL11449584 0.70 MAPT (0.58) KDM4EATMPIM1HPGDGLA
SCHEMBL1162742 0.70 PIM1 (0.54) KDM4EALDH1A1RXFP1KMT2AIDO1
SCHEMBL9701346 0.69 KDM4E (0.64) KDM4EALDH1A1RXFP1KMT2AATM
SCHEMBL2822668 0.66 KDR (0.47) ALDH1A1KMT2AATML3MBTL1MEN1
SCHEMBL6217613 0.65 KDM4E (0.54) KDM4EALDH1A1RXFP1KMT2APIM1
SCHEMBL5184144 0.65 PIM1 (0.61) KDM4EALDH1A1RXFP1KMT2APIM1
SCHEMBL11023464 0.65 KDM4E (0.46) KDM4EALDH1A1KMT2AATMPIM1

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