SCHEMBL5888944

SCHEMBL5888944

C=CCOc1[c]c2ccccc2cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPRC P08575 1/20 0.34
LIG1 P18858 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA9 Q16790 6/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL27822819 0.83 CTSS (0.36)
SCHEMBL64412 0.77 ALDH1A1 (0.34) MAPK1GAAMAPT
SCHEMBL2459600 0.77
SCHEMBL3840978 0.75 HPGD (0.38) HPGDTSHRMAPK1HSD17B10PTPRC
SCHEMBL733300 0.74 ALOX5 (0.49) TSHRMAPK1GAACYP3A4MAPT
SCHEMBL4629557 0.74 AGXT (0.32) MAPK1CA12CA1CA9
SCHEMBL2502936 0.74 PTPN1 (0.33)
SCHEMBL6945091 0.74 PTPN1 (0.33)
SCHEMBL2214200 0.74 ALDH1A1 (0.42) MAPK1GAACA12CA1CA9
SCHEMBL1389283 0.74 TLR8 (0.37) TSHRMAPK1GAACA12CA1

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
CN-115677600-A 2, 3-dihydroquinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2023-02-03 CN claimed
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US claimed
CN-115677600-B 2, 3-Dihydro-quinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-07-02 CN disclosed
CN-115677600-B 2, 3-Dihydro-quinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-07-02 CN disclosed
CN-115677600-A 2, 3-dihydroquinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2023-02-03 CN disclosed
CN-115677600-A 2, 3-dihydroquinazoline-4 (1H) -ketone derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2023-02-03 CN disclosed