SCHEMBL19785758

SCHEMBL19785758

C=Cc1c[nH]c(=O)c(C(=O)Nc2cccc(-c3ccccc3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
CD274 Q9NZQ7 9/20 0.42
PDCD1 Q15116 8/20 0.42
BTK Q06187 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19785492 0.90 CD274 (0.44) KDRCD274PDCD1BTKALDH1A1
SCHEMBL19785826 0.84 SUCNR1 (0.50) KDRCD274PDCD1BTKALDH1A1
SCHEMBL19785953 0.84 KDR (0.45) KDRALDH1A1HTTKDM4ELMNA
SCHEMBL19779430 0.80 MEN1 (0.46) CD274PDCD1BTKRAB9A
SCHEMBL19779681 0.78 CD274 (0.45) CD274PDCD1BTKALDH1A1SUCNR1
SCHEMBL23244042 0.76 PDCD1 (0.44) CD274PDCD1BTKALDH1A1HTT
SCHEMBL18979827 0.74 CD274 (0.52) CD274PDCD1ALDH1A1HTTKDM4E
SCHEMBL18979842 0.74 CD274 (0.53) CD274PDCD1ALDH1A1NPC1RAB9A
SCHEMBL19785837 0.73 KDR (0.46) KDRHTTKDM4ELMNANPC1
SCHEMBL18979737 0.73 PDCD1 (0.52) CD274PDCD1ALDH1A1KDM4ELMNA

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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed