SCHEMBL6689149

SCHEMBL6689149

O=C(NC(c1ccccc1)c1c[nH]nc1-c1cccs1)c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.39
P2RX7 Q99572 2/20 0.39
HSD17B2 P37059 1/20 0.39
JAK2 O60674 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
TACR3 P29371 1/20 0.36
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6698055 0.85 ALDH1A1 (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6683423 0.83 MAPT (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6677935 0.81 KCNK3 (0.40) HSD17B2MEN1KMT2AKDM4EMAPT
SCHEMBL6678578 0.81 MAPT (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6691606 0.78 HSD17B2 (0.41) HSD17B2MEN1KMT2AMAPTLMNA
SCHEMBL6689991 0.76 MAPT (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6679654 0.73 TRPM8 (0.45) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4916663 0.68 FGFR2 (0.37) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL6355765 0.65 GPR139 (0.74) GPR139P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL16714289 0.64 MAPT (0.38) MEN1KMT2AKDM4EMAPTHTT

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-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed