SCHEMBL5496752

SCHEMBL5496752

N#Cc1ccc(C#Cc2c[c]ccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
APP P05067 1/20 0.39
CYP2A6 P11509 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
MMP3 P08254 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP11B2 P19099 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2188836 0.85 APP (0.57) TSHRAPPCA2ALDH1A1CA12
SCHEMBL3610 0.84
SCHEMBL20399742 0.82
SCHEMBL5492434 0.82 MAPT (0.59) APPCA2ALDH1A1CA12CA9
SCHEMBL2545694 0.82 APP (0.37) APPMAPT
SCHEMBL28019240 0.82 APP (0.37) APPCA2CA12CA9MAPT
SCHEMBL2539548 0.82 APP (0.37) APPMAPT
SCHEMBL4268626 0.82 APP (0.37) APPMAPT
SCHEMBL5495027 0.82 APP (0.47) APPCA2ALDH1A1CA12CA3
SCHEMBL10736631 0.78 TSHR (0.50) TSHRAPPCYP2A6CA2ALDH1A1

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
EP-1474832-A4 METHOD AND SYSTEM FOR MOLECULAR CHARGE STORAGE FIELD EFFECT TRANSISTOR UNIV CALIFORNIA (US) 2007-08-29 EP disclosed
US-20050062097-A1 Method and system for molecular charge storage field effect transistor REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2005-03-24 US disclosed
EP-1474832-A1 METHOD AND SYSTEM FOR MOLECULAR CHARGE STORAGE FIELD EFFECT TRANSISTOR The Regents of the University of California (US) 2004-11-10 EP disclosed
US-6674121-B2 Method and system for molecular charge storage field effect transistor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-06 US disclosed
WO-2003052835-A1 METHOD AND SYSTEM FOR MOLECULAR CHARGE STORAGE FIELD EFFECT TRANSISTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-06-26 WO disclosed
US-20030111670-A1 Method and system for molecular charge storage field effect transistor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-19 US disclosed