SCHEMBL30852152

SCHEMBL30852152

CC(F)(F)c1cccnc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SSTR4 P31391 3/20 0.38
HSD17B10 Q99714 1/20 0.36
PLCG1 P19174 1/20 0.36
GAA P10253 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
NFE2L2 Q16236 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADORA2A P29274 1/20 0.33
CXCR4 P61073 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL803061 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1SSTR4HSD17B10PLCG1
SCHEMBL507101 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1SSTR4NFE2L2ADORA2A
Hydrochloric Acid SCHEMBL2305254 0.83 ALDH1A1 (0.52) L3MBTL1ALDH1A1SSTR4NFE2L2ADORA2A
SCHEMBL23355763 0.83 L3MBTL1 (0.52) L3MBTL1ALDH1A1SSTR4HSD17B10PLCG1
SCHEMBL25911810 0.83 SSTR4 (0.36) L3MBTL1ALDH1A1SSTR4GAASLC22A12
SCHEMBL30852043 0.81 SSTR4 (0.35) L3MBTL1ALDH1A1SSTR4GAASLC22A12
SCHEMBL2085967 0.77 ALDH1A1 (0.46) L3MBTL1ALDH1A1HSD17B10CHRM2CHRM4
SCHEMBL2084210 0.74 ALDH1A1 (0.46) L3MBTL1ALDH1A1HSD17B10PLCG1GAA
SCHEMBL2083430 0.74 ALDH1A1 (0.42) L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL18963844 0.72 SLC22A12 (0.37) L3MBTL1GAASLC22A12NFE2L2NPC1

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
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed