SCHEMBL11253134

SCHEMBL11253134

CC(C)OC(=O)c1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDK2 Q15119 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
PTGES O14684 1/20 0.32
THRB P10828 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
SCHEMBL11251581 0.92 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11262332 0.91 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11248479 0.90 SOS1 (0.36) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11254579 0.89 ALDH1A1 (0.31) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11262181 0.89 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11255098 0.89 THRB (0.32) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL11265330 0.88 PTGES (0.35) PTGES
SCHEMBL11246820 0.88 KDM4E (0.30) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11260537 0.87 GPR119 (0.33)
SCHEMBL11240936 0.87 SOS1 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA

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