SCHEMBL4780491

SCHEMBL4780491

O=C(Nc1[c]nccc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
KLK7 P49862 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5481218 0.77 GAA (0.36) NPC1MEN1KMT2AKDM4EGAA
SCHEMBL1906809 0.77 HSD17B10 (0.41) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL8918118 0.76 LMNA (0.34) GAA
SCHEMBL3430680 0.74 SMN1; SMN2 (0.39) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL12468924 0.74 TGM2 (0.47)
SCHEMBL5478772 0.74 ALDH1A1 (0.46) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL5472897 0.73 L3MBTL1 (0.32) L3MBTL1
SCHEMBL5472894 0.73 L3MBTL1 (0.36) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL12468731 0.72 SMN1; SMN2 (0.41) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL5481582 0.72 POLB (0.34) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed