SCHEMBL19980862

SCHEMBL19980862

CCCCCCOc1cc(N)c(OCCC)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TLR8 Q9NR97 3/20 0.47
TSHR P16473 1/20 0.47
MCHR1 Q99705 2/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL11579460 0.96 CYP1A2 (0.52) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1554235 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1553131 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1553128 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1553655 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1554055 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1553685 0.90 CYP1A2 (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL11210965 0.89 MAPT (0.64) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL18428553 0.88 CYP1A2 (0.52) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL10595283 0.88 CYP1A2 (0.52) MEN1MAPTKMT2AALDH1A1KDM4E

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-2785797-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed