SCHEMBL9375977

SCHEMBL9375977

N#CCc1cccc2c(=O)c3ccccc3oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ MAOA P21397 9/20 0.54
▸ CYP19A1 P11511 3/20 0.52
▸ CYP11B1 P15538 2/20 0.52
▸ CYP11B2 P19099 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PGAM1 P18669 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PTGS2 P35354 1/20 0.48
▸ ALOX5 P09917 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
SCHEMBL9377940 0.83 MAOA (0.53) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL15663291 0.83 KDM4E (0.59) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL13395979 0.81 KDM4E (0.65) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL10999959 0.81 KDM4E (0.65) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL9379757 0.81 GLA (0.48) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL8714340 0.80 KDM4E (0.59) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL18243048 0.77 KDM4E (0.64) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL12608741 0.77 MAOA (0.68) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL107952 0.76 KDM4E (0.71) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL29975151 0.76 KDM4E (0.71) KDM4EMAOACYP19A1CYP11B1CYP11B2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 — — EP claimed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 — — EP claimed
WO-2021215943-A1 XANTHONE DERIVATIVES, UV PROTECTIVE COMPOSITION CONCENTRATE, METHOD OF PREPARATION OF UV PROTECTIVE COMPOSITION CONCENTRATE, USE OF UV PROTECTIVE COMPOSITION CONCENTRATE AND COSMETIC UV PROTECTIVE PRODUCT UNIWERSYTET JAGIELLONSKI (PL) 2021-10-28 — — WO disclosed
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 — — EP disclosed
US-5281620-A Alkyl substituted xanthenone-4-acetic acid CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-01-25 — — US disclosed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 — — EP disclosed
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