SCHEMBL21182872

SCHEMBL21182872

CCOc1ccc(CCC2C=CC(c3ccc(-c4ccc(C)cc4)cc3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15318612 0.97 MEN1 (0.35) MEN1KMT2AKDM1A
SCHEMBL15220916 0.88 FFAR4 (0.32)
SCHEMBL15318580 0.85 KDM1A (0.34) MEN1KMT2AKDM1AKDM4ENPC1
SCHEMBL15220724 0.83 SPHK1 (0.36) KDM1A
SCHEMBL15318616 0.82 KDM1A (0.36) MEN1KMT2AKDM1AKDM4ENPC1
SCHEMBL10021878 0.81 KDM1A (0.36) MEN1KMT2AKDM1AKDM4ENPC1
SCHEMBL15220763 0.80 KDM1A (0.33) KDM1A
SCHEMBL15221078 0.80 RET (0.30)
SCHEMBL21182849 0.79 KDM4E (0.37) MEN1KMT2AKDM1AKDM4ENPC1
SCHEMBL15220889 0.79 KDM1A (0.33) KDM1A

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
EP-2669354-B1 Cyclohexene-3,6-diyl Compound, Liquid Crystal Composition and Liquid Crystal Display Device JNC CORP (JP) 2019-07-24 EP disclosed