SCHEMBL30103098

SCHEMBL30103098

O=C(O)c1cc(Cl)cc2cnn(Cc3ccc(-c4ccccc4)cn3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.41
GRM2 Q14416 1/20 0.40
MARS1 P56192 2/20 0.38
CHRM5 P08912 1/20 0.38
SRC P12931 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
ACLY P53396 2/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CTRC Q99895 1/20 0.36
PTGER1 P34995 1/20 0.36
KMO O15229 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
SCHEMBL24785361 1.00 DHODH (0.41) DHODHGRM2MARS1CHRM5SRC
SCHEMBL30103044 0.89 AXL (0.40) GRM2CHRM5SRCACLY
SCHEMBL24785362 0.89 AXL (0.40) GRM2CHRM5SRCACLY
SCHEMBL21458263 0.88 EGLN1 (0.47) DHODHMARS1EGLN1ACLY
SCHEMBL30843281 0.88 EGLN1 (0.47) DHODHMARS1EGLN1ACLY
SCHEMBL24785015 0.86 CYP11B1 (0.40) DHODHMARS1CTRCPTGER1KMO
SCHEMBL30018091 0.86 CYP11B1 (0.40) DHODHMARS1CTRCPTGER1KMO
SCHEMBL30103059 0.83 KDM4E (0.40) GRM2
SCHEMBL12584570 0.83 PTGER4 (0.41) DHODHGRM2CHRM5EGLN1ACLY
SCHEMBL24785433 0.82 DHODH (0.38) DHODHEGLN1PTGER1KMO

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
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed