SCHEMBL28029580

SCHEMBL28029580

O=c1c2ccccc2sc2cccc(OCC(O)CO)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 2/20 0.47
AGTR1 P30556 2/20 0.47
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
NR2E1 Q9Y466 4/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27905187 0.85 CYP1A2 (0.46) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL7923749 0.81 NPC1 (0.48) CYP1A2MEN1KMT2ACYP2C19MAPT
SCHEMBL13886857 0.81 CYP1A2 (0.40) CYP1A2KDM4ECYP2C19LMNAAGTR1
SCHEMBL25137177 0.81 ADRB2 (0.41) CYP1A2KMT2AKDM4ELMNAAGTR1
SCHEMBL2125461 0.80 CYP1A2 (0.43) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL2126862 0.80 CYP1A2 (0.43) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL3252488 0.78 MAPT (0.54) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL29897738 0.77 HPGD (0.54) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL4634025 0.77 HPGD (0.54) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL29264291 0.77 MAPT (0.47) CYP1A2MEN1KMT2AKDM4ECYP2C19

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
CN-103153979-B For the polymerizable photoinitiator of LED curable compositions AGFA GRAPHICS N.V. (BE) 2015-10-21 CN disclosed