SCHEMBL30171463

SCHEMBL30171463

O=c1ccc2ccc3ccccc3c2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 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
PIK3CD O00329 1/20 0.38
PIK3C2A O00443 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 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
SCHEMBL24864978 0.72 TRPV1 (0.38) TRPV1MPIPHOSPHO1KDM4ENPSR1
SCHEMBL31285936 0.71 TRPV1 (0.51) TRPV1MPIPHOSPHO1HIF1AKDM4E
SCHEMBL859629 0.69 L3MBTL1 (0.59) TRPV1MPIPHOSPHO1KDM4ENPSR1
SCHEMBL30039561 0.69 L3MBTL1 (0.59) TRPV1MPIPHOSPHO1KDM4ENPSR1
SCHEMBL14933491 0.68 TRPV1 (0.51) TRPV1MPIPHOSPHO1KDM4ENPSR1
SCHEMBL9228097 0.68 RAB9A (0.67) TRPV1MPIPHOSPHO1HIF1AKDM4E
SCHEMBL17537378 0.67 GSK3A (0.59) TRPV1MPIPHOSPHO1HIF1AGSK3A
SCHEMBL30171491 0.67 TDP1 (0.38) KDM4EMAPTATMCNR2KCNJ11
SCHEMBL10501768 0.67 METAP2 (0.69) MPIPHOSPHO1HIF1AKDM4ENPSR1
SCHEMBL25042634 0.67 KDM4E (0.50) TRPV1MPIPHOSPHO1KDM4EGSK3A

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-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed