SCHEMBL8236012

SCHEMBL8236012

O=C(CCl)Nc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 10/20 0.44
MALT1 Q9UDY8 1/20 0.42
OGT O15294 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
TP53 P04637 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL8233961 0.94 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL5320148 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL8236015 0.82 MAPT (0.43) MAPTSMN1; SMN2GABRA2GABRB2TP53
SCHEMBL8236523 0.79 OGT (0.45) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL8227750 0.77 MAPT (0.46) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL8237709 0.74 MAPT (0.41) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL8235818 0.74 MAPT (0.54) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL8233022 0.72 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL8236412 0.71 SLC6A9 (0.39) KMT2AMAPTSMN1; SMN2ADORA3ADORA2A
SCHEMBL8236040 0.71 MAPT (0.47) MAPTTP53

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed