SCHEMBL30908307

SCHEMBL30908307

COc1c(C)ccc2ccc(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
NQO2 P16083 6/20 0.45
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL4589419 0.80 CA12 (0.53) CYP19A1NQO2CA12CA9CA1
SCHEMBL12569582 0.76 CA12 (0.47) CA12CA9CA1CA3CA4
SCHEMBL3784446 0.75 CA12 (0.55) CYP19A1NQO2CA12CA9CA1
SCHEMBL29153237 0.73 CA12 (0.53) CA12CA9CA1CA3CA4
SCHEMBL13524439 0.73 CYP19A1 (0.47) CYP19A1NQO2CA12CA9KDM4E
SCHEMBL30516741 0.73 STING1 (0.40) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL6378203 0.73 CA12 (0.45) CYP19A1NQO2CA12CA9
SCHEMBL433883 0.71 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL30063823 0.71 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL21642314 0.70 GRIN2D (0.46) CYP19A1NQO2KDM4EALDH1A1GAA

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed