SCHEMBL11262181

SCHEMBL11262181

CC(C)OC(=O)c1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1C(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK2 Q15119 1/20 0.30
PTGES O14684 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11248479 0.90 SOS1 (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11253134 0.89 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11251640 0.88 SOS1 (0.37) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11251581 0.88 KDM4E (0.32) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11262332 0.87 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11255098 0.85 THRB (0.32) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11254579 0.85 ALDH1A1 (0.31) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11265330 0.84 PTGES (0.35) PTGES
SCHEMBL11246820 0.84 KDM4E (0.30) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11263574 0.84 DHODH (0.32)

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed