SCHEMBL9447012

SCHEMBL9447012

CN(Cc1cccc(N)c1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL4747138 0.82 CHRM2 (0.63) HIF1AEPAS1CHRM2ADRA2ADRD1
SCHEMBL6184529 0.82 HIF1A (0.49) HIF1AEPAS1CHRM2ADRA2ADRD1
SCHEMBL9447031 0.76 CYP1A2 (0.54) HIF1AEPAS1LMNAALDH1A1CYP2D6
SCHEMBL17064852 0.76 MAOB (0.53) SMN1; SMN2ALDH1A1MAOAMAOBTSHR
SCHEMBL30270552 0.76 MAOB (0.53) SMN1; SMN2ALDH1A1MAOAMAOBTSHR
SCHEMBL8805352 0.75 CHRNB2 (0.59) HIF1AEPAS1CHRM2ADRA2ADRD1
SCHEMBL9447106 0.74 CYP2D6 (0.74) HIF1AKDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL14220155 0.74 MEN1 (0.56) HIF1AEPAS1CHRM2ADRA2ADRD1
SCHEMBL6186299 0.73 HIF1A (0.42) HIF1AEPAS1CHRM2ADRA2ADRD1
SCHEMBL15131433 0.73 HIF1A (0.46) HIF1AEPAS1CHRM2ADRA2ADRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed