SCHEMBL16879999

SCHEMBL16879999

Nc1nc2c(s1)C(=O)N(c1ccccc1Cl)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
GRM5 P41594 11/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.39
ALOX5 P09917 1/20 0.38
ALB P02768 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL16880061 0.83 GRM5 (0.40) GRM5ALBHSD11B1
SCHEMBL16880046 0.80 ALDH1A1 (0.43) GRM5ALDH1A1MAPK1MAPTKDM4E
SCHEMBL31318725 0.78 GRM5 (0.48) GRM5ALDH1A1MAPK1MAPTALOX5
SCHEMBL16880063 0.78 ALB (0.39) GRM5ALBHSD11B1
SCHEMBL16799127 0.74 NPC1 (0.42) GRM5MAPTALOX5ALBMEN1
SCHEMBL6893699 0.73 GRM5 (0.63) GRM5ALDH1A1MAPK1
SCHEMBL16799586 0.73 GRM5 (0.44) GRM5ALDH1A1MAPTALOX5ALB
SCHEMBL16879820 0.73 DRD2 (0.54) DRD2DRD3GRM5ALDH1A1MAPK1
SCHEMBL16888073 0.73 WNT3A (0.42) GRM5ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL31573909 0.73 GRM5 (0.63) GRM5ALDH1A1MAPK1

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-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed