SCHEMBL3632244

SCHEMBL3632244

Cc1cn(NF)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.56
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
HTR6 P50406 1/20 0.38
SLC6A4 P31645 4/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
GPR3 P46089 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
CYP1A2 P05177 1/20 0.36
FABP4 P15090 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL11452265 0.76 SLC6A2 (0.51) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL8836040 0.76 SLC6A2 (0.51) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL3631049 0.74 SLC6A2 (0.50) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL3978255 0.74 SLC6A2 (0.50) SLC6A2MEN1KMT2AKDM4ENQO2
Hydrochloric Acid SCHEMBL8709005 0.73 SLC6A2 (0.49) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL27926787 0.72 SLC6A2 (0.43) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL7611582 0.72 SLC6A2 (1.00) SLC6A2CYP1A2
SCHEMBL27703610 0.72 SLC6A2 (0.48) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL8835800 0.71 SLC6A2 (0.47) SLC6A2MEN1KMT2AKDM4ENQO2
SCHEMBL9445636 0.71 SLC6A2 (0.57) SLC6A2MEN1KMT2AKDM4ENQO2

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
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed