SCHEMBL5058729

SCHEMBL5058729

CCCCCCN(CCCCCC)c1ccc(C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4A O75164 4/20 0.47
KDM2A Q9Y2K7 4/20 0.47
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5058728 1.00 INSR (0.48) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL7719119 0.92 CHRM2 (0.54) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5460996 0.90 LMNA (0.43) MAPK1TDP1LMNAKDM4ECYP2C19
SCHEMBL15065449 0.90 LMNA (0.43) MAPK1TDP1LMNAKDM4ECYP2C19
SCHEMBL5712574 0.90 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL10340840 0.90 LMNA (0.43) MAPK1TDP1LMNAKDM4ECYP2C19
SCHEMBL5712573 0.90 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832514 0.90 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL2604957 0.88 CHRM2 (0.57) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL15871096 0.88 CYP1A2 (0.42) MEN1ALDH1A1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449578-B1 substituted phenanthroline compounds with high two photon absorption cross sections; [3,8-Bis-{4-[2-(4-tert-butylsulfanyl-phenylvinyl]-phenyl}-[1,10] phenanthroline THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-11-11 US disclosed