SCHEMBL30852196

SCHEMBL30852196

FC(F)(F)COc1cccnc1CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.39
CACNA1G O43497 2/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SSTR4 P31391 1/20 0.38
NFE2L2 Q16236 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL7371029 0.83 MAPT (0.42) CACNA1HCACNA1GMAPTKMT2AKDM4E
SCHEMBL24180073 0.83 SSTR4 (0.40) CACNA1HCACNA1GMAPTKMT2AKDM4E
SCHEMBL30851832 0.83 ALDH1A1 (0.47) CACNA1HCACNA1GMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7370046 0.81 MAPT (0.41) CACNA1HCACNA1GMAPTKMT2AKDM4E
SCHEMBL30851780 0.81 SLC40A1 (0.37) MAPTSSTR4ADORA1
SCHEMBL22391508 0.80 SSTR4 (0.41) CACNA1HCACNA1GMAPTKMT2AKDM4E
SCHEMBL24180113 0.80 SSTR4 (0.39) CACNA1HCACNA1GMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL30851795 0.79 SLC40A1 (0.36) MAPTSSTR4ADORA1
SCHEMBL2085694 0.79 CHRNB2 (0.42) CACNA1HCACNA1GMAPTKMT2AKDM4E
SCHEMBL28028586 0.78 CACNA1H (0.46) CACNA1HCACNA1GMAPTKMT2AKDM4E

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-4612151-A1 PREPARATION OF IMIDAZOPYRIDINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024097573-A1 PREPARATION OF IMIDAZOPYRIDINE AND IMIDAZOPYRIDAZINE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed