SCHEMBL5329442

SCHEMBL5329442

NC(=O)c1ccc2cc3n(c2c1)C=C(C(=O)O)Cc1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.39
RPS6KA3 P51812 2/20 0.38
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR2B P41595 1/20 0.35
PLAU P00749 1/20 0.34
SRD5A1 P18405 1/20 0.34
PLA2G10 O15496 2/20 0.34
BCAT2 O15382 1/20 0.34
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL3945086 0.94 RPS6KA3 (0.40) SRD5A2RPS6KA3DRD2ADRA1DHTR2A
SCHEMBL3943354 0.92 SRD5A2 (0.48) SRD5A2SRD5A1FGFR1
SCHEMBL241854 0.87 SRD5A2 (0.39) SRD5A2SRD5A1
SCHEMBL841837 0.79 RPS6KA3 (0.41) RPS6KA3PLAUBCAT2ROCK2PIM1
SCHEMBL50820 0.74 RPS6KA3 (0.49) RPS6KA3PLAUPLA2G10BCAT2ROCK2
SCHEMBL50474 0.74 RPS6KA3 (0.39) RPS6KA3PLAUROCK2PIM1PIM3
SCHEMBL3244153 0.72 SRD5A2 (0.43) SRD5A2SRD5A1FGFR1
SCHEMBL3088133 0.70 RPS6KA3 (0.54) RPS6KA3HTR2AHTR2CBCAT2RPS6KA2
SCHEMBL3941964 0.70 RPS6KA3 (0.43) RPS6KA3PLAUPLA2G10ROCK2PIM1
SCHEMBL4822220 0.68 RPS6KA3 (0.40) RPS6KA3PLAUROCK2PIM1PIM3

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-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed