SCHEMBL7601586

SCHEMBL7601586

[c]1ccc2sc3ccccc3c2c1-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
AHR P35869 2/20 0.35
CHEK2 O96017 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR3 P46089 1/20 0.33
PLA2G2A P14555 3/20 0.32
PLA2G4A P47712 3/20 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
SCHEMBL17945341 0.77 MAPT (0.41) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL21295686 0.77 GPR3 (0.43) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL24171450 0.76 NPC1 (0.40) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL24171355 0.76 ALOX5 (0.41) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL24519055 0.76 MAPT (0.40) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL20706688 0.76 MAPT (0.47) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL15836095 0.76 MAPT (0.47) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL20706801 0.76 MAPT (0.47) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL20277487 0.76 MAPT (0.47) MAPTNPC1KDM4EMEN1ALDH1A1
SCHEMBL20277467 0.76 MAPT (0.50) MAPTNPC1KDM4EMEN1ALDH1A1

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
EP-1112264-B1 POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-11-27 EP claimed