SCHEMBL5312355

SCHEMBL5312355

COCCOc1cc(CBr)cc(OCCOC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.32
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
SLC6A4 P31645 2/20 0.32
RECQL P46063 1/20 0.32
HTR1A P08908 1/20 0.32
CHEK2 O96017 1/20 0.31

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
SCHEMBL13490827 0.94 MAPK1 (0.41) MAPK1ALDH1A1RECQL
SCHEMBL1347193 0.89 SLC6A4 (0.41) MEN1KMT2AKDM4EALDH1A1SLC6A4
SCHEMBL29002957 0.87 KDM4E (0.36) MAPK1MEN1KMT2AKDM4ECYP1A2
SCHEMBL18860591 0.87 MAPT (0.43) MEN1KMT2AALDH2SLC6A4HTR1A
SCHEMBL2809880 0.85 PDE4A (0.39) SLC6A4HTR1A
SCHEMBL89284 0.85 ALDH1A1 (0.39) MAPK1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL31214329 0.81 KDM4E (0.50) MAPK1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL2062788 0.81 KDM4E (0.50) MAPK1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL14646378 0.81 LTA4H (0.38) MAPK1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8264810 0.80 MEN1 (0.43) MAPK1MEN1KMT2AKDM4ECYP1A2

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed