SCHEMBL31466271

SCHEMBL31466271

Cc1ccnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.44
AVPR1A P37288 2/20 0.44
NPBWR1 P48145 2/20 0.43
MCHR1 Q99705 1/20 0.43
HIF1A Q16665 1/20 0.41
XDH P47989 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.39
BRAF P15056 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL31466376 0.84 OXTR (0.39) OXTRAVPR1ANPBWR1MCHR1MEN1
SCHEMBL15779574 0.79 OXTR (0.48) OXTRMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL23130273 0.78 CYP2C9 (0.49) HIF1AXDHMEN1KMT2ASMN1; SMN2
SCHEMBL20001726 0.78 HIF1A (0.41) OXTRNPBWR1MCHR1HIF1AXDH
SCHEMBL24214812 0.78 HIF1A (0.41) OXTRAVPR1ANPBWR1MCHR1HIF1A
SCHEMBL28878347 0.78 POLB (0.58) OXTRNPBWR1MCHR1HIF1AXDH
SCHEMBL31466259 0.77 NPBWR1 (0.49) NPBWR1MCHR1KDM4EMAPTL3MBTL1
SCHEMBL17086614 0.77 MEN1 (0.48) NPBWR1MCHR1MEN1KMT2AKDM4E
SCHEMBL15299343 0.75 NPC1 (0.41) NPBWR1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12988815 0.75 CYP2C9 (0.46) NPBWR1HIF1AKMT2AKDM4EMAPT

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-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed