SCHEMBL5796096

SCHEMBL5796096

O=C(O)c1c2c(nn1-c1ccc(Cl)c(Cl)c1)CCOC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 10/20 0.42
UGCG Q16739 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 5/20 0.38
CNR2 P34972 5/20 0.38

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
SCHEMBL5811399 0.66 CNR1 (0.65) RPA1UGCGCNR1CNR2
SCHEMBL5811121 0.66 UGCG (0.46) UGCGCNR1CNR2
SCHEMBL25416376 0.65 PDE4D (0.50) UGCGMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11018665 0.65 L3MBTL1 (0.53) RPA1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5806767 0.63 RPA1 (0.44) RPA1SMN1; SMN2CNR1CNR2
SCHEMBL1432360 0.63 CNR1 (0.43) RPA1UGCGCNR1CNR2
SCHEMBL9183007 0.62 MAPK1 (0.68) RPA1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2201331 0.61 LMNA (0.60) RPA1MEN1MAPTKMT2ANPSR1
SCHEMBL10772842 0.60 PKM (0.43) RPA1MEN1MAPTKMT2AALDH1A1
SCHEMBL9178737 0.59 CNR1 (0.47) RPA1ALDH1A1L3MBTL1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 WO disclosed