SCHEMBL4583516

SCHEMBL4583516

CCOc1ccc(-c2ccc3ccccc3c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.44
KMT2A Q03164 5/20 0.43
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
GUSB P08236 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
NQO1 P15559 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL7905231 0.81 CHRNB4 (0.65) CHRNB4CHRNA3CHRNA7KMT2ANPC1
SCHEMBL17559483 0.77 NPC1 (0.47) MAPTTDP1TSHRKMT2ANPC1
SCHEMBL15271981 0.77 HSD17B10 (0.43) MAPTTDP1TSHRKMT2AALDH1A1
SCHEMBL23443653 0.77 PRKCZ (0.53) MAPTTDP1TSHRKMT2ANPC1
SCHEMBL29798181 0.77 HSD17B10 (0.43) MAPTTDP1TSHRKMT2AALDH1A1
SCHEMBL21068 0.76 ALDH1A1 (0.46) MAPTTDP1TSHRKMT2ANPC1
SCHEMBL30574434 0.76 ALDH1A1 (0.46) MAPTTDP1TSHRKMT2ANPC1
SCHEMBL29423352 0.76 ALDH1A1 (0.46) MAPTTDP1TSHRKMT2ANPC1
SCHEMBL31330294 0.75 PTPN1 (0.59) LTA4H
SCHEMBL6308539 0.75 GSTP1 (0.52) MAPTTDP1TSHRNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951842-B1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2016-07-27 EP disclosed
EP-1951842-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2008-08-06 EP disclosed
WO-2007054470-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2007-05-18 WO disclosed