SCHEMBL21067704

SCHEMBL21067704

COc1ccc(OC)c2c1c(C)cc(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 1.00
▸ NQO2 P16083 10/20 1.00
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL17509827 0.76 NQO2 (1.00) CYP19A1NQO2MAPTL3MBTL1MEN1
SCHEMBL18347811 0.76 CYP19A1 (0.75) CYP19A1NQO2MAPTKDM4EALDH1A1
SCHEMBL6968661 0.73 CYP19A1 (0.57) CYP19A1NQO2MAPTMEN1POLB
SCHEMBL18347791 0.71 CYP19A1 (0.68) CYP19A1NQO2MAPTALOX15KDM4E
SCHEMBL14438070 0.71 CYP19A1 (0.61) CYP19A1NQO2MAPTL3MBTL1KDM4E
SCHEMBL26555530 0.71 CYP19A1 (0.55) CYP19A1NQO2MAPTKDM4E
SCHEMBL14873828 0.70 CYP19A1 (0.77) CYP19A1NQO2MAPTKDM4EALDH1A1
SCHEMBL1003108 0.68 NQO2 (0.63) CYP19A1NQO2KDM4EALDH1A1GLA
SCHEMBL2633374 0.67 PRMT1 (0.59) CYP19A1NQO2MAPTL3MBTL1MEN1
SCHEMBL24854794 0.65 MAPT (0.55) CYP19A1NQO2MAPTL3MBTL1MEN1

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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