SCHEMBL30563178

SCHEMBL30563178

N#Cc1cc(Cl)nc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
VCAM1 P19320 1/20 0.35
NT5E P21589 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
SYK P43405 2/20 0.33
KIF11 P52732 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1335200 1.00 GRM5 (0.38) GRM5KDM4ELMNAADORA2AADORA1
SCHEMBL901915 0.79 GRM5 (0.46) GRM5VCAM1
SCHEMBL24493325 0.78 ALPL (0.37) KDM4ELMNAALPLALPISYK
SCHEMBL25933213 0.77 TTR (0.36) KDM4ELMNAALPLALPISYK
SCHEMBL23594988 0.77 HSP90AA1 (0.48) GRM5KDM4ELMNAADORA2AADORA1
SCHEMBL16635081 0.74 PSD (0.40)
SCHEMBL26418861 0.73 CYP3A4 (0.51) KDM4ELMNAALPLALPISYK
SCHEMBL13737012 0.73 GRM5 (0.55) GRM5KDM4ELMNAALDH1A1HSD17B10
SCHEMBL30945276 0.73 KDM4E (0.42) KDM4EADORA2AADORA1NT5EALDH1A1
SCHEMBL2630995 0.73 KDM4E (0.42) KDM4EADORA2AADORA1NT5EALDH1A1

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-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed