SCHEMBL28601903

SCHEMBL28601903

O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 12/20 0.83
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
FAAH O00519 1/20 0.53
MCHR1 Q99705 2/20 0.50
GCGR P47871 1/20 0.50

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
SCHEMBL28344799 0.91 HIF1A (1.00) HIF1ANPC1RAB9AFAAH
SCHEMBL28601911 0.89 HIF1A (0.85) HIF1ANPC1RAB9AFAAHMCHR1
SCHEMBL28608835 0.89 HIF1A (0.85) HIF1ANPC1RAB9AFAAH
SCHEMBL28614480 0.88 HIF1A (0.79) HIF1AFAAHGCGR
SCHEMBL28596560 0.88 HIF1A (0.83) HIF1ANPC1RAB9AFAAH
SCHEMBL28347634 0.88 HIF1A (1.00) HIF1ANPC1RAB9AFAAH
SCHEMBL28607757 0.86 HIF1A (1.00) HIF1AALDH1A1NPC1RAB9AFAAH
SCHEMBL28345384 0.84 HIF1A (0.88) HIF1ANPC1RAB9AGCGR
SCHEMBL28344792 0.83 HIF1A (0.76) HIF1AKDM4EALDH1A1NPC1RAB9A
SCHEMBL28598211 0.82 HIF1A (1.00) HIF1ANPC1RAB9AGCGR

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
CN-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed