SCHEMBL18477010

SCHEMBL18477010

Cc1ccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
KIF11 P52732 2/20 0.48
ALKBH3 Q96Q83 1/20 0.44
PCSK9 Q8NBP7 2/20 0.41
DAO P14920 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
F2 P00734 1/20 0.40
IDH1 O75874 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
NPBWR1 P48145 1/20 0.38
PIN1 Q13526 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL6995615 0.84 LOXL2 (0.57) LOXL2KIF11ALKBH3PCSK9DAO
SCHEMBL7419729 0.81 LOXL2 (0.57) LOXL2PCSK9DAORAB9ANPC1
SCHEMBL6994727 0.81 LOXL2 (0.57) LOXL2ALKBH3PCSK9DAORAB9A
SCHEMBL6992353 0.81 LOXL2 (0.49) LOXL2KIF11PCSK9KDM5AKDM4C
SCHEMBL17027129 0.79 F2 (0.55) KIF11ALKBH3DAOKDM5AKDM4C
SCHEMBL865051 0.79 LOXL2 (0.72) LOXL2PCSK9DAORAB9ANPC1
SCHEMBL18440586 0.79 SRD5A2 (0.55) KDM5AKDM4CKDM5BF2
SCHEMBL18440581 0.78 HRH3 (0.48) RAB9ANPC1F2HSP90AA1KDM4E
SCHEMBL6990096 0.77 KIF11 (0.49) KIF11KDM5AKDM4CKDM5BKDM4E
SCHEMBL19360375 0.77 KDM4E (0.46) KIF11RAB9ANPC1KDM5AKDM4C

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-2017024018-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-02-09 WO disclosed