SCHEMBL4800205

SCHEMBL4800205

CCCCCCCCCCCCC(N)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A4 P31645 1/20 0.41
CSNK1E P49674 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
AOC3 Q16853 1/20 0.40
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
SCHEMBL9312708 0.93 ALDH1A1 (0.44) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8915580 0.88 ALOX5 (0.43) SLC2A1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL1990198 0.88 ALOX5 (0.43) SLC2A1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL1994555 0.88 ALOX5 (0.43) SLC2A1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL1678986 0.88 ALOX5 (0.43) SLC2A1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL9313554 0.86 ALDH1A1 (0.47) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29484443 0.86 ALDH1A1 (0.47) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1989999 0.86 ALOX5 (0.44) KMT2AKDM4EL3MBTL1ALDH1A1CNR1
SCHEMBL14163385 0.84 HTR1B (0.41) SLC2A1KMT2AKDM4EL3MBTL1SLC6A4
Bromide SCHEMBL10429058 0.83 HTT (0.46) KMT2AKDM4EALDH1A1CYP1A2CYP2C19

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
US-7390847-B2 Polymer derivatives for the treatment of metals BASF SE (DE) 2008-06-24 US disclosed
US-20050121114-A1 Polymer derivatives for the treatment of metals BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed