SCHEMBL26555530

SCHEMBL26555530

Cc1c(C)c(C)c2c(c(C)cc(=O)n2C)c1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.55
▸ NQO2 P16083 8/20 0.55
▸ KDM4E B2RXH2 1/20 0.41
▸ NOX4 Q9NPH5 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ KAT2B Q92831 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ATAD2 Q6PL18 1/20 0.31
▸ PARG Q86W56 1/20 0.30
▸ ALDH2 P05091 1/20 0.30

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
SCHEMBL21067704 0.71 CYP19A1 (1.00) CYP19A1NQO2KDM4EMAPT
SCHEMBL13998324 0.70 NQO2 (0.45) CYP19A1NQO2KDM4ENOX4KAT2B
SCHEMBL4328945 0.68 NQO2 (0.51) CYP19A1NQO2KDM4EKCNA3KAT2B
SCHEMBL13311182 0.67 — —
SCHEMBL14791120 0.67 — —
SCHEMBL10331063 0.67 — —
SCHEMBL12559800 0.65 NQO2 (0.70) CYP19A1NQO2KDM4EKAT2BMAPT
SCHEMBL14873828 0.65 CYP19A1 (0.77) CYP19A1NQO2KDM4EIDO1TDO2
SCHEMBL14877980 0.65 — —
SCHEMBL19213228 0.65 — —

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
US-20230331958-A1 KETOQUINOLONES AS PHOTONITIATORS IGM RESINS ITALIA S.R.L. (IT) 2023-10-19 — — US disclosed
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