SCHEMBL29328473

SCHEMBL29328473

COC(=O)c1ccc(C2CC(C(F)F)NCCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ATM Q13315 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 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
SCHEMBL25619681 0.83 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL16409221 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL25620691 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL28325217 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL29148946 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL25076566 0.80 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL30054107 0.80 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL30988614 0.79 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL25076845 0.79 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL29328504 0.79 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1HSD17B10

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed