SCHEMBL15041003

SCHEMBL15041003

O=C(c1ccc2c(c1)sc1ccccc12)c1ccc2c(c1)sc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.51
MAOB P27338 5/20 0.45
MAOA P21397 2/20 0.45
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRA5 P31644 1/20 0.44
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42

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
SCHEMBL15041034 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL11249253 0.87 CYP1A2 (0.54) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL29762008 0.87 CYP1A2 (0.54) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL29012609 0.87 KDM4E (0.47) ALDH1A1MAPTRAB9ACYP1A2MAOB
SCHEMBL7111037 0.85 MAPT (0.54) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL11244432 0.85 CYP1A2 (0.53) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL11236091 0.85 ALDH1A1 (0.50) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL433462 0.84 ATM (0.48) ALDH1A1MAPTRAB9ACYP1A2MAOB
SCHEMBL1576859 0.84 CYP1A2 (0.63) GPR3ALDH1A1MAPTRAB9ACYP1A2
Silver SCHEMBL11461108 0.84 ALDH1A1 (0.49) GPR3ALDH1A1MAPTHPGDRAB9A

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-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed