SCHEMBL9356136

SCHEMBL9356136

Cc1cc(CCc2ccccc2)cc(-c2cc(CCc3ccccc3)cc(C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 2/20 0.41
COMT P21964 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8194463 0.90 ALDH1A1 (0.50) KCNH2ALDH1A1KDM4EHPGDNOS3
SCHEMBL25679796 0.81 ALDH1A1 (0.44) KCNH2ALDH1A1KDM4EHPGDNOS3
SCHEMBL8829999 0.81 ALDH1A1 (0.44) KCNH2ALDH1A1KDM4EHPGDNOS3
SCHEMBL29222897 0.78 KCNH2 (0.53) KCNH2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL25946165 0.78 HPGD (0.42) KCNH2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28257410 0.77 KCNH2 (0.52) KCNH2ALDH1A1KDM4EHPGDNOS3
SCHEMBL10144468 0.75 LMNA (0.40) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL30509728 0.74 BACE1 (0.51) KCNH2ALDH1A1KDM4EHPGDNOS3
SCHEMBL10730575 0.72 CALM1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4648373 0.72 ALDH1A1 (0.58) KCNH2ALDH1A1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed