SCHEMBL30296558

SCHEMBL30296558

Nc1cc(Cl)c(-c2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TSHR P16473 1/20 0.37
MAP4K4 O95819 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 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
SCHEMBL26456968 1.00 CSNK2A1 (0.44) CSNK2A1ALDH1A1HSD17B10CYP2A6ADORA2A
SCHEMBL16119858 0.85 ALDH1A1 (0.43) CSNK2A1ALDH1A1HSD17B10CYP2A6ADORA2A
SCHEMBL12364208 0.84 ALDH1A1 (0.50) CSNK2A1ALDH1A1HSD17B10CYP2A6PRKAB2
SCHEMBL990770 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10PTGS1PTGS2TSHR
SCHEMBL8734809 0.82 CYP2A6 (0.48) CSNK2A1CYP2A6ADORA2AADORA1PRKAB2
SCHEMBL26457501 0.81 NPC1 (0.42) ADORA2AGAAPDE3BPDE3A
SCHEMBL30296553 0.81 NPC1 (0.42) ADORA2AGAAPDE3BPDE3A
SCHEMBL2265147 0.80 CSNK2A1 (0.47) CSNK2A1ALDH1A1HSD17B10CYP2A6PRKAB2
SCHEMBL10922908 0.78 CSNK2A1 (0.48) CSNK2A1ALDH1A1HSD17B10CYP2A6ADORA1
SCHEMBL21999626 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10PTGS1PTGS2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 EP disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 CN disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed