SCHEMBL3926937

SCHEMBL3926937

ClCCCCn1ccnc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.75
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NOS1 P29475 1/20 0.51

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
SCHEMBL28253178 0.98 TBXAS1 (0.79) TBXAS1NOS1
SCHEMBL27785977 0.98 TBXAS1 (0.79) TBXAS1NOS1
SCHEMBL27748530 0.98 TBXAS1 (0.72) TBXAS1TSHRKDM4ELMNANOS1
Hydrochloric Acid SCHEMBL25366753 0.98 TBXAS1 (0.72) TBXAS1TSHR
SCHEMBL28252403 0.98 TBXAS1 (0.79) TBXAS1NOS1
SCHEMBL23803072 0.98 TBXAS1 (0.79) TBXAS1NOS1
SCHEMBL11568 0.93
Pyridine SCHEMBL27891847 0.91 TBXAS1 (0.62) TBXAS1TSHR
SCHEMBL937596 0.89 TBXAS1 (0.95) TBXAS1
Acetic Acid SCHEMBL2488197 0.88 TBXAS1 (0.61) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174938-A 4-indole-2-aminopyrimidine compounds and application thereof 浙江工业大学 2021-01-05 CN claimed
CN-109535158-B Bisaryl maleimide compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof 浙江工业大学 2021-04-23 CN disclosed
CN-112174938-A 4-indole-2-aminopyrimidine compounds and application thereof 浙江工业大学 2021-01-05 CN disclosed
CN-105037275-B The method for preparing Zilpaterol and its salt 英特威国际有限公司 2019-05-10 CN disclosed
CN-109535158-A A kind of double arylmaleimides compounds and its pharmaceutically acceptable salt and its preparation method and application 浙江工业大学 2019-03-29 CN disclosed
CN-109254076-A The preparation method of volatile organic acids gas sensor 南京理工大学 2019-01-22 CN disclosed
CN-105777751-B Bisaryl maleimide compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof 浙江工业大学 2018-12-11 CN disclosed
CN-105777751-A Bisaryl maleimide compound and pharmaceutically acceptable salt thereof, and preparation method and application thereof 浙江工业大学 2016-07-20 CN disclosed
CN-103130790-B A kind of 3-benzoisoxazole-4-indolylmaleimides derivative and uses thereof JIANG University OF TECHNOLOGY (CN) 2015-10-28 CN disclosed
CN-104289093-A Wet-process hydrogen sulfide waste gas purifying device and method CHINA PETROLEUM & CHEMICAL 2015-01-21 CN disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
CN-1479738-A thioether substituted imidazoquinoline compounds 3M 2004-03-03 CN disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
CN-1344254-A Quinoline derivatives and quinazoline derivatives KIRIN BREWERY (JP) 2002-04-10 CN disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP disclosed
US-4737495-A ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS DR. KARL TOMAE, GMBH (DE) 1988-04-12 US disclosed
EP-0204349-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-12-10 EP disclosed
US-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US disclosed