SCHEMBL7786140

SCHEMBL7786140

COc1nc(-n2ncc(C#N)c2N)c(Cl)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
XDH P47989 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2 P00734 1/20 0.34
HPGD P15428 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL8531966 0.91 KMT2A (0.39) KMT2AKDM4EMEN1GLARXFP1
SCHEMBL6949643 0.85 KMT2A (0.43) KMT2AKDM4EMEN1GLARXFP1
SCHEMBL7779112 0.84 KMT2A (0.45) KMT2AKDM4EMEN1GLARXFP1
SCHEMBL10616527 0.74 KMT2A (0.44) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL838436 0.74 KMT2A (0.44) KMT2AKDM4EMEN1GLARXFP1
SCHEMBL6475236 0.74 KDM4E (0.49) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL9587846 0.74 CHUK (0.39) KMT2AKDM4EMEN1RXFP1MAPT
SCHEMBL8175355 0.71 KDM4E (0.34) KDM4EALDH1A1ARLRRK2MALT1
SCHEMBL8919733 0.71 KMT2A (0.43) KMT2AKDM4EMEN1GLARXFP1
SCHEMBL8026458 0.70 GABRA2 (0.54) KMT2AKDM4EMEN1ALDH1A1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759429-B1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF AG (DE) 2001-10-24 EP disclosed
US-6107253-A GOOD HERBICIDAL ACTION AND ARE TOLERABLE IN CROPS SUCH AS WHEAT OR RICE BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-5849920-A Substituted trifluoromethylpyridines BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5750705-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
EP-0759429-A1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF Aktiengesellschaft (DE) 1997-02-26 EP disclosed