SCHEMBL9036751

SCHEMBL9036751

N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)COc2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
TP53 P04637 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 4/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 4/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9036109 0.84 TP53 (0.37) KDM4ETP53L3MBTL1POLBCYP1A2
SCHEMBL9035868 0.81 ALDH1A1 (0.38) KDM4EPOLBRXFP1MAPTALDH1A1
SCHEMBL9017343 0.81 KMT2A (0.44) KDM4ETP53POLBRXFP1MAPT
SCHEMBL8994408 0.80 OPRM1 (0.38)
SCHEMBL8994464 0.79 L3MBTL1 (0.34) KDM4ETSHRL3MBTL1POLBRXFP1
SCHEMBL8994383 0.79 GPR88 (0.35) POLBRXFP1MAPTMAPK1
SCHEMBL8994468 0.79 RXFP1 (0.35) KDM4EPOLBRXFP1MAPTALDH1A1
SCHEMBL9036640 0.78 HTT (0.36) KDM4ETP53L3MBTL1POLBRXFP1
SCHEMBL9036106 0.78 PPARA (0.42) KDM4EPOLBCYP1A2CYP2C19RXFP1
SCHEMBL9037689 0.78 LMNA (0.39) KDM4ETSHRL3MBTL1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594940-B1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed
EP-0594940-A1 N-oxy- and thioalkylcarbonyloxyalkypyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP claimed
US-5286741-A N-oxy- and thioalkylcarbonyloxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-02-15 US claimed