SCHEMBL3823935

SCHEMBL3823935

COC(=O)/C=C/c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.54
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
STAT3 P40763 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL6171194 1.00 BACE1 (0.54) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6170385 0.90 PTGS2 (0.49) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6170382 0.90 PTGS2 (0.49) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL30100696 0.90 PTGS2 (0.49) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL1028988 0.86 STAT3 (0.54) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL1028987 0.86 STAT3 (0.54) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6170004 0.86 BACE1 (0.54) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6169997 0.86 BACE1 (0.54) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6170179 0.84 BACE1 (0.62) BACE1MAPTLMNAALDH1A1MEN1
SCHEMBL6172741 0.84 BACE1 (0.68) BACE1MAPTLMNAALDH1A1MEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
EP-1622880-B3 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2018-05-23 EP disclosed
EP-1622880-B3 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2018-05-23 EP disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1622880-B1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1685123-A2 SUBSTITUTED DIHYDROQUINAZOLINES II Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
WO-2005047278-A2 SUBSTITUTED DIHYDROQUINAZOLINES II BAYER HEALTHCARE AG (DE) 2005-05-26 WO disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed