SCHEMBL4745137

SCHEMBL4745137

CSc1nc(-c2ccccc2)nc(-c2c(C)c(=O)[nH][nH]c2=O)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
PPARG P37231 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 8/20 0.45
NPSR1 Q6W5P4 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HPGD P15428 3/20 0.39

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
SCHEMBL31156502 0.71 NPSR1 (0.57) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL8382994 0.71 NPSR1 (0.59) PPARGALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL4988245 0.70 ALDH1A1 (0.47) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL8380313 0.69 HPGD (0.65) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL4787157 0.68 ALDH1A1 (0.45) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL8384543 0.68 NPSR1 (0.53) RXFP1ALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL14070104 0.66 NPSR1 (0.45) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL8379758 0.66 KMT2A (0.43) RXFP1PPARGNCOR2ALDH1A1NPSR1
SCHEMBL6442594 0.66 ADORA1 (0.71) RXFP1ADORA2AADORA1CYP1A2CYP2C9
SCHEMBL4785941 0.65 FLT3 (0.48) ALDH1A1NPSR1KMT2AMEN1TSHR

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-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed