SCHEMBL19785826

SCHEMBL19785826

Cc1c(NC(=O)c2cc(Cl)c[nH]c2=O)cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.50
KDR P35968 1/20 0.46
DYRK1A Q13627 1/20 0.46
CD274 Q9NZQ7 6/20 0.45
PDCD1 Q15116 5/20 0.45
BTK Q06187 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SERPINE1 P05121 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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 0.85 CD274 (0.44) SUCNR1KDRCD274PDCD1BTK
SCHEMBL19785758 0.84 KDR (0.43) SUCNR1KDRCD274PDCD1BTK
SCHEMBL19780010 0.78 MEN1 (0.65) SUCNR1CD274PDCD1BTKALDH1A1
SCHEMBL19785759 0.75 CD274 (0.56) CD274PDCD1ALDH1A1KDM4EMAPT
SCHEMBL19785761 0.74 CD274 (0.68) CD274PDCD1
SCHEMBL13053955 0.74 NPC1 (0.62) CD274PDCD1BTKALDH1A1HTT
SCHEMBL29516927 0.71 NPC1 (0.70) CD274PDCD1ALDH1A1KDM4EMAPT
SCHEMBL29788136 0.71 KDM4E (0.55) CD274PDCD1BTKALDH1A1HTT
Toluene SCHEMBL2285073 0.70 DYRK1A (0.75) DYRK1AALDH1A1KDM4E
SCHEMBL18979851 0.70 PDCD1 (0.53) CD274PDCD1ALDH1A1HTTKDM4E

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