SCHEMBL6615829

SCHEMBL6615829

O=C(NCc1ccc(Cl)c(Cl)c1)n1cccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
PLAU P00749 1/20 0.55
KLKB1 P03952 1/20 0.55
ELANE P08246 1/20 0.55
TSHR P16473 2/20 0.51
HRH3 Q9Y5N1 3/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
EPHX2 P34913 1/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL17276636 0.81 TPSAB1 (0.48)
SCHEMBL1260046 0.80 ASAH1 (0.48) TSHRMAPTALDH1A1HPGD
SCHEMBL6613513 0.79 PDE4B (0.51) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6616500 0.76 PDE4B (0.55) ALDH1A1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL17276657 0.75 PRMT6 (0.51) KLKB1
SCHEMBL17276606 0.75 HPGD (0.57) ALDH1A1SMN1; SMN2EPHX2HPGD
SCHEMBL17276853 0.73 PLOD2 (0.47) KLKB1TRPV1
SCHEMBL24575982 0.72 TSHR (0.71) TSHRHRH3MEN1ALDH1A1KMT2A
SCHEMBL4560494 0.71 HRH3 (0.72) TSHRHRH3MEN1ALDH1A1KMT2A
SCHEMBL11305715 0.71 TSHR (0.69) F2TSHRMEN1ALDH1A1KMT2A

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 WO disclosed