SCHEMBL4927688

SCHEMBL4927688

C(C#Cc1ccccn1)#Cc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.55
▸ KCNH2 Q12809 2/20 0.53
▸ CYP1A2 P05177 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL352291 0.89 GRM5 (0.65) GRM5KCNH2CYP1A2TDP1
Methyl Alcohol SCHEMBL28902013 0.84 GRM5 (0.67) GRM5KCNH2CYP1A2ALDH1A1MAPT
SCHEMBL172943 0.80 — —
SCHEMBL29610604 0.80 — —
SCHEMBL30526535 0.80 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL103541 0.80 — —
SCHEMBL16004606 0.80 GRM5 (0.57) GRM5KCNH2CYP1A2
SCHEMBL7587615 0.80 — —
SCHEMBL21197623 0.80 — —
SCHEMBL30214467 0.80 — —

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076887-A1 Process for production of molecular devices NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2008-03-27 — — US disclosed
US-20080076869-A1 Process for production of molecular devices NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2008-03-27 — — US disclosed
US-7285604-B2 Process for production of molecular devices NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2007-10-23 — — US disclosed
US-20070172600-A1 Molecular bonding method and molecular bonding device NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATION TECHNOLOGY INCORPORATED (JP) 2007-07-26 — — US disclosed
US-20070114400-A1 Probe NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED (JP) 2007-05-24 — — US disclosed
EP-1623953-A1 PROBE National Institute of Information and Communications Technology (JP) 2006-02-08 — — EP disclosed
EP-1621517-A1 METHOD OF BONDING MOLECULE AND MOLECULE BONDING APPARATUS National Institute of Information and Communications Technology (JP) 2006-02-01 — — EP disclosed
US-20050215731-A1 Process for production of molecular devices NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2005-09-29 — — US disclosed
JP-2000095762-A DIPYRIDYLDICETYLENE DERIVATIVE AND POLYDIPYRIDYDIACETYLENE DERIVATIVE, AND PRODUCTION THEREOF RITSUMEIKAN 2000-04-04 — — JP disclosed
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