SCHEMBL5138592

SCHEMBL5138592

Cc1c[c]c(Br)c(-c2cccc(C(F)(F)C(F)(F)F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 5/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4607151 0.86 PTPN5 (0.34) PTPN5MEN1KMT2AKDM4EALDH1A1
SCHEMBL5085691 0.81 PTPN5 (0.34) PTPN5
SCHEMBL5138594 0.78 BRD4 (0.32) PTPN5MEN1KMT2A
SCHEMBL4624805 0.75
SCHEMBL4608305 0.73 RORC (0.34) PTPN5MEN1KMT2AKDM4EALDH1A1
SCHEMBL4608309 0.72 RORB (0.36) PTPN5MEN1KMT2AKDM4EALDH1A1
SCHEMBL4607153 0.72 RORC (0.33) PTPN5MEN1KMT2AKDM4EALDH1A1
SCHEMBL5085694 0.70 PTPN5 (0.34) PTPN5
SCHEMBL4430956 0.69 CTSS (0.44) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL29749591 0.68 ACHE (0.48) PTPN5MEN1KMT2AALDH1A1CYP1A2

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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed