SCHEMBL8075720

SCHEMBL8075720

CNC(CCc1ccc(Cl)nc1)=NC#N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12777971 0.86 ALDH1A1 (0.42) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7643013 0.76 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7643014 0.76 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7636313 0.76 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL18633356 0.76 MEN1 (0.43) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7636310 0.76 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7636265 0.74 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL7636271 0.74 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL8070166 0.74 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1NPC1RAB9A
SCHEMBL739298 0.72 ALDH1A1 (0.45) CHRNB2CHRNA4ALDH1A1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021409-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Novartis AG (CH) 2000-07-26 EP claimed
WO-1999012906-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES NOVARTIS AG (CH) 1999-03-18 WO claimed
EP-1021409-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Novartis AG (CH) 2000-07-26 EP disclosed
WO-1999012906-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES NOVARTIS AG (CH) 1999-03-18 WO disclosed