SCHEMBL31235941

SCHEMBL31235941

COc1ccc(=O)oc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.50
▸ CA9 Q16790 11/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CA12 O43570 8/20 0.44
▸ CA1 P00915 8/20 0.44
▸ CA7 P43166 8/20 0.44
▸ ALDH1A1 P00352 8/20 0.44
▸ CA13 Q8N1Q1 7/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ HPGD P15428 6/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ AKR1B1 P15121 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL29002752 0.75 MCL1 (0.65) MCL1CA9CYP2A6CA12CA1
SCHEMBL27718011 0.74 CA9 (0.57) MCL1CA9CYP2A6CA12CA1
SCHEMBL28917315 0.70 MCL1 (0.74) MCL1CA9CYP2A6CA12CA1
SCHEMBL28917276 0.70 MCL1 (0.74) MCL1CA9CYP2A6CA12CA1
SCHEMBL28728668 0.69 CA9 (0.59) MCL1CA9CYP2A6CA12CA1
SCHEMBL15266240 0.69 CA9 (0.69) MCL1CA9CYP2A6CA12CA1
SCHEMBL3362753 0.68 CA9 (0.70) MCL1CA9CYP2A6CA12CA1
SCHEMBL4181037 0.68 MCL1 (0.67) MCL1CA9CYP2A6CA12CA1
SCHEMBL5085582 0.67 MCL1 (1.00) MCL1CA9CYP2A6CA12CA1
SCHEMBL31169352 0.67 MCL1 (1.00) MCL1CA9CYP2A6CA12CA1

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-2024240268-A1 CEREBELLAR PROTEIN E3 UBIQUITIN LIGASE INHIBITOR AND CHIMERIC COMPOUND TARGETING PROTEIN DEGRADATION 甘李药业股份有限公司 2024-11-28 — — WO disclosed
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