SCHEMBL30360940

SCHEMBL30360940

CC(Oc1ccc2c(-c3ccccc3Br)cc(=O)oc2c1)C(=O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ HPGD P15428 7/20 0.58
▸ KDM4E B2RXH2 4/20 0.51
▸ RECQL P46063 2/20 0.51
▸ AR P10275 1/20 0.49
▸ ALDH2 P05091 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ IGLV6-57 P01721 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA9 Q16790 1/20 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
SCHEMBL20839429 1.00 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839406 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30360855 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839115 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30055780 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL31622307 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL26106000 0.88 ALDH1A1 (0.75) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839101 0.87 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30360898 0.87 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839103 0.87 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ERECQLAR

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
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN claimed
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN disclosed
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP disclosed
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