SCHEMBL11265372

SCHEMBL11265372

O=C(c1c(Cl)cccc1Cl)N(O)c1ccccc1.[Pd]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
PBRM1 Q86U86 1/20 0.42
TP53 P04637 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
FEN1 P39748 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
TSHR P16473 1/20 0.37
AKR1B1 P15121 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL9805675 0.79 POLB (0.47) POLBALDH1A1PBRM1TP53TRPM8
SCHEMBL11674241 0.78 POLB (0.46) POLBALDH1A1PBRM1TP53TRPM8
SCHEMBL11265368 0.76 POLB (0.45) POLBALDH1A1PBRM1TP53TRPM8
SCHEMBL28904678 0.75 POLB (0.44) POLBALDH1A1PBRM1TP53TRPM8
SCHEMBL11256252 0.74 KDM4E (0.65) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL11264425 0.74 KDM4E (0.55) POLBALDH1A1KDM4EHPGDTRPM8
SCHEMBL11003485 0.72 ALDH1A1 (0.52) POLBALDH1A1KDM4EHPGDTRPM8
SCHEMBL11262660 0.72 ALDH1A1 (0.47) POLBALDH1A1TRPM8FEN1MAPT
SCHEMBL28299711 0.72 KDM4E (0.62) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL133668 0.71 KDM4E (0.67) POLBALDH1A1KDM4EHPGDMAPT

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
US-4365082-A CATALYTIC OXIDATION, ESTERIFICATION INSTITUT FRANCAIS DU PETROLE (FR) 1982-12-21 US claimed
US-4365082-A CATALYTIC OXIDATION, ESTERIFICATION INSTITUT FRANCAIS DU PETROLE (FR) 1982-12-21 US disclosed