SCHEMBL11223033

SCHEMBL11223033

CNC(C(N)=O)c1cc(Cl)cc(C(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
MAPT P10636 3/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CXCL8 P10145 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL11220051 0.83 MAPT (0.56) MAPTPTGS1PTGS2CXCR1CXCR2
SCHEMBL7531101 0.80 CNR2 (0.48) CNR2CNR1MAPTPTGS1PTGS2
SCHEMBL11223031 0.78 CNR2 (0.43) CNR2CNR1MAPTPTGS1PTGS2
SCHEMBL11731205 0.76 CNR2 (0.49) CNR2CNR1MAPTPTGS1PTGS2
SCHEMBL23716154 0.75 ROCK2 (0.48) TRPM8
SCHEMBL13710935 0.75 ROCK2 (0.48) TRPM8
Water SCHEMBL11468778 0.74 CNR2 (0.48) CNR2CNR1MAPTPTGS1PTGS2
SCHEMBL5089604 0.74 LMNA (0.44) CNR1MAPTKDM4EALDH1A1LMNA
SCHEMBL12797154 0.74 LMNA (0.44) CNR1MAPTKDM4EALDH1A1LMNA
SCHEMBL10090088 0.74 LMNA (0.44) CNR1MAPTKDM4EALDH1A1LMNA

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
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US claimed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed