SCHEMBL31343271

SCHEMBL31343271

COC(=O)c1cc(CN)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.54
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 4/20 0.53
TSHR P16473 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
LMNA P02545 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ABL1 P00519 1/20 0.46
CASR P41180 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14817015 1.00 LOXL2 (0.54) LOXL2ALDH1A1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL30933600 0.98 LOXL2 (0.53) LOXL2ALDH1A1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL9931554 0.98 LOXL2 (0.53) LOXL2ALDH1A1HPGDMAPTTSHR
Hydrochloric Acid SCHEMBL25290200 0.91 CYP4F2 (0.62) LOXL2ALDH1A1HPGDMAPTTSHR
SCHEMBL1827959 0.87 LOXL2 (0.54) LOXL2ALDH1A1HPGDMAPTTSHR
SCHEMBL12332820 0.86 CYP4F2 (0.58) ALDH1A1HPGDMAPTTSHRGAA
SCHEMBL1671454 0.84 CYP4F2 (0.73) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL13066708 0.83 CYP4F2 (0.51) ALDH1A1HPGDMAPTTSHRGAA
SCHEMBL844331 0.83 CYP4F2 (0.72) ALDH1A1HPGDMAPTTSHRGAA
SCHEMBL30750476 0.83 CYP4F2 (0.72) ALDH1A1HPGDMAPTTSHRGAA

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-2025048759-A1 BENZIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS ICOSYN THERAPEUTICS SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2025-03-06 WO disclosed