SCHEMBL1034554

SCHEMBL1034554

N=C(N)c1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.63
WDR5 P61964 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
F7 P08709 3/20 0.46
F12 P00748 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
F9 P00740 1/20 0.46
LMNA P02545 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
PRSS1 P07477 5/20 0.45
PRSS2 P07478 5/20 0.45
PRSS3 P35030 5/20 0.45

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
SCHEMBL32689453 1.00 BCAT2 (0.63) BCAT2WDR5KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL27450056 0.98 BCAT2 (0.61) BCAT2WDR5KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL31621742 0.98 BCAT2 (0.61) BCAT2WDR5KMT2AMEN1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL29131061 0.98 BCAT2 (0.61) BCAT2WDR5KMT2AMEN1SMN1; SMN2
SCHEMBL7151686 0.93 BCAT2 (0.55) BCAT2WDR5KMT2AMEN1SMN1; SMN2
SCHEMBL1036499 0.91 BCAT2 (0.53) BCAT2WDR5KMT2AMEN1SMN1; SMN2
SCHEMBL752611 0.85 F2 (0.48) BCAT2WDR5KMT2AF2F10
SCHEMBL28513902 0.84 BCAT2 (0.50) BCAT2WDR5F2F10F7
SCHEMBL206918 0.84 BCAT2 (0.46) BCAT2WDR5KMT2AMEN1SMN1; SMN2
SCHEMBL28216062 0.84 SLC6A3 (0.51) BCAT2WDR5KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640876-A A kind of Multi substituted benzenes benzimidazole derivative and preparation method thereof 华侨大学 2018-10-12 CN claimed
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 CN claimed
US-20090317357-A1 Methods for treating or preventing autoimmune disease using histamine h1 receptor-blocking agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US claimed
WO-2004075845-A2 METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASE USING HISTAMINE H1 RECEPTOR-BLOCKING AGENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-09-10 WO claimed
EP-1263857-A2 CURABLE PERFLUOROELASTOMER COMPOSITION DUPONT DOW ELASTOMERS L.L.C. (US) 2002-12-11 EP claimed
US-6433130-B1 POLYMERIZATION CATALYST; STABILITY SEKISUI CHEMICAL CO., LTD. (JP) 2002-08-13 US claimed
WO-2001059005-A2 CURABLE PERFLUOROELASTOMER COMPOSITION DUPONT DOW ELASTOMERS L.L.C. (US) 2001-08-16 WO claimed
JP-52095635-A None JP disclosed
US-20240150506-A1 CURING AGENTS FOR FLUOROELASTOMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-05-09 US disclosed
CN-117529520-A Fluoroelastomer compositions containing curative 杜邦特种产品美国有限公司 2024-02-06 CN disclosed
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 EP disclosed
WO-2024009283-A1 AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-01-11 WO disclosed
CN-117263869-A Method for synthesizing N-aryl benzimidazole derivative 郑州轻工业大学 2023-12-22 CN disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed
EP-0059156-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLEACETIC-ACID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-23 EP disclosed
EP-0001965-B1 PROCESS FOR THE PREPARATION OF FOAMED MATERIALS BAYER AG (DE) 1982-12-15 EP disclosed
JP-S5295635-A NOVEL N-CYCLOHEXYL-N#-SUBSTUTUTED PHENYL-BENZAMIDINE COMPOUNDS TOYO JOZO CO LTD 1977-08-11 JP disclosed