SCHEMBL9617036

SCHEMBL9617036

Cc1cccc(/C=C/c2nc3c(s2)NCCC3)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 9/20 0.36
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9617037 1.00 NUDT1 (0.36) NUDT1TP53CYP1A2CYP2D6TSHR
SCHEMBL8312879 0.83 MAPT (0.32) TP53CYP1A2CYP2D6TSHRTHPO
SCHEMBL8312878 0.83 MAPT (0.32) TP53CYP1A2CYP2D6TSHRTHPO
SCHEMBL8313155 0.79 MAPT (0.45) TP53CYP1A2RAB9AKDM4EALDH1A1
SCHEMBL8313159 0.79 MAPT (0.45) TP53CYP1A2RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8454360 0.78 MAPT (0.47) TP53CYP1A2RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8454357 0.78 MAPT (0.47) TP53CYP1A2RAB9AKDM4EALDH1A1
SCHEMBL8316370 0.76 PTGS2 (0.41) TP53CYP1A2CYP2D6RAB9AKDM4E
SCHEMBL8316364 0.76 PTGS2 (0.41) TP53CYP1A2CYP2D6RAB9AKDM4E
SCHEMBL8316367 0.76 PTGS2 (0.41) TP53CYP1A2CYP2D6RAB9AKDM4E

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
JP-4211089-A None JP disclosed
JP-H04211089-A CONDENSED THIAZOLE COMPOUND TAKEDA CHEM IND LTD 1992-08-03 JP disclosed