SCHEMBL12437616

SCHEMBL12437616

Cc1ccccc1C(=O)Nc1cc(C(=O)Nc2c(Cl)cc(C(F)(c3ccc(Cl)cc3)C(F)(F)F)cc2Cl)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 3/20 0.42
KCNMA1 Q12791 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR1 P21453 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 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
SCHEMBL12437620 0.91 MEN1 (0.46) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL14120380 0.91 TRPV1 (0.46) ALDH1A1KMT2AMAPTRXFP1KCNMA1
SCHEMBL17560976 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL16330798 0.86 S1PR3 (0.52) S1PR3S1PR1
SCHEMBL12437133 0.85 TAS1R3 (0.40) RXFP1KCNMA1S1PR3S1PR1RAB9A
SCHEMBL18023968 0.85 HDAC1 (0.42) MEN1KMT2AS1PR3S1PR1RAB9A
SCHEMBL12438374 0.83 S1PR3 (0.39) MEN1KMT2AS1PR3S1PR1NPC1
SCHEMBL12437132 0.80 S1PR3 (0.40) S1PR3S1PR1RAB9A
SCHEMBL29360338 0.79 KMT2A (0.40) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL298875 0.79 KMT2A (0.40) ALDH1A1MEN1KMT2AHPGDMAPT

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-2011095462-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-11 WO disclosed