SCHEMBL1160451

SCHEMBL1160451

NC1(N)C=CC(c2ccccc2)(c2cccc3ccccc23)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KEAP1 Q14145 1/20 0.35
KIF11 P52732 1/20 0.33
CYP2A6 P11509 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 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
SCHEMBL29876796 0.66 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL25155197 0.66 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL6152348 0.65 OPRM1 (0.38) MEN1KMT2AALDH1A1OPRM1
SCHEMBL4099398 0.63 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL25155130 0.63 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2
SCHEMBL30343860 0.63 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2
SCHEMBL19809334 0.62 MEN1 (0.44) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL23709164 0.62 MAPK1 (0.40) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL25155278 0.62 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL30344926 0.62 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460204-A1 ELECTRONIC COMPONENT AND ELECTRICAL CONTACT OSRAM Opto Semiconductors GmbH (DE) 2012-06-06 EP disclosed
WO-2011012461-A1 ELECTRONIC COMPONENT AND ELECTRICAL CONTACT OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2011-02-03 WO disclosed