SCHEMBL9877333

SCHEMBL9877333

C=CCNC(=O)c1cc(-n2c(=O)cc(C)n(C(F)F)c2=O)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
POLB P06746 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.32
PPARG P37231 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APEX1 P27695 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
SCHEMBL9877650 0.87 HPGD (0.46) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9494830 0.81 NOTUM (0.38) HPGDPOLBCYP3A4ALDH1A1L3MBTL1
SCHEMBL9523542 0.81 MAPT (0.35) HPGDCYP1A2CYP2C19ALDH1A1GAA
SCHEMBL9878117 0.79 HPGD (0.42) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9878390 0.77 HPGD (0.40) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9521572 0.77 LMNA (0.34) HPGDPOLBALDH1A1LMNAMEN1
SCHEMBL9522926 0.76 FNTA (0.38) HPGDCYP1A2CYP2C19GAALMNA
SCHEMBL9497433 0.74 CA12 (0.39) HPGDRAB9ALMNANPC1MAPT
SCHEMBL9495959 0.74 HPGD (0.32) HPGDCYP1A2CYP2C19RAB9ALMNA
SCHEMBL10481255 0.72 HPGD (0.43) HPGDPOLBCYP1A2CYP3A4CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US claimed
EP-0333791-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-09-27 EP claimed
WO-1989002891-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1989-04-06 WO claimed
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed