SCHEMBL20828529

SCHEMBL20828529

O=C(Nc1ccc(-c2nnc(COc3cccc(C(F)(F)F)c3)[nH]2)cc1)c1ccc(CN2CC(F)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.46
▸ EPAS1 Q99814 9/20 0.46
▸ S1PR5 Q9H228 2/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20828389 0.84 FFAR1 (0.46) HIF1AEPAS1FFAR1PTPN1RAB9A
SCHEMBL20828525 0.83 RAB9A (0.45) FFAR1PTPN1RAB9AGAAMAPT
SCHEMBL20828380 0.82 CSF1R (0.47) FFAR1RAB9AGAAMAPT
SCHEMBL20820816 0.77 HIF1A (0.45) HIF1AEPAS1S1PR5PDGFRAS1PR1
SCHEMBL20828384 0.76 RXFP1 (0.47) FFAR1KDM4E
SCHEMBL20828516 0.75 RAB9A (0.50) HIF1AEPAS1FFAR1PTPN1RAB9A
SCHEMBL20828477 0.74 RXFP1 (0.45) FFAR1RAB9AKDM4EMAPT
SCHEMBL22237402 0.71 LMNA (0.52) KDM4E
SCHEMBL31395035 0.68 S1PR5 (0.82) S1PR5PDGFRAS1PR1GAAKDM4E
SCHEMBL18083684 0.66 SLC2A1 (0.69) HIF1AEPAS1RAB9AGAAKDM4E

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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