SCHEMBL27759342

SCHEMBL27759342

Nc1c(Br)cc(-c2cccc3c2Cc2ccccc2-3)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 0.38
ACHE P22303 7/20 0.38
BCHE P06276 1/20 0.38
EGFR P00533 2/20 0.38
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL21385041 0.84 PNMT (0.44) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6907601 0.84 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3553779 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7805131 0.81 NPC1 (0.50) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28429516 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL20640814 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL20640475 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8927960 0.80 KDM4E (0.44) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL17574464 0.78 PNMT (0.44) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL27840995 0.77 NPC1 (0.59) PNMTNPC1RAB9AKDM4EALDH1A1

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
CN-101379111-B Polymerizable unsaturated compound and method for producing the same WAKO PURE CHEM IND LTD 2012-01-11 CN disclosed
CN-101379111-A Polymerizable unsaturated compound and method for producing the same WAKO PURE CHEM IND LTD (JP) 2009-03-04 CN disclosed