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) —
SCHEMBL2459600 0.77 — —
SCHEMBL64412 0.77 ALDH1A1 (0.34) MAPK1GAAMAPT
SCHEMBL3840978 0.75 HPGD (0.38) HPGDTSHRMAPK1HSD17B10PTPRC
SCHEMBL6945091 0.74 PTPN1 (0.33) —
SCHEMBL2214200 0.74 ALDH1A1 (0.42) MAPK1GAACA12CA1CA9
SCHEMBL733300 0.74 ALOX5 (0.49) TSHRMAPK1GAACYP3A4MAPT
SCHEMBL2502936 0.74 PTPN1 (0.33) —
SCHEMBL4629557 0.74 AGXT (0.32) MAPK1CA12CA1CA9
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
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