SCHEMBL9016796

SCHEMBL9016796

CSc1sc2ccccc2c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.45
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIA2 P42262 1/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HCRTR1 O43613 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11260561 0.84 GRIA4 (0.40) GRIA4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL9000153 0.76 IDO1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL9016795 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL9272736 0.70 EGFR (0.43) GRIA4ALDH1A1KDM4EMAPTL3MBTL1
Water SCHEMBL27930773 0.69 GPR3 (0.65) ALDH1A1KDM4EMAPTL3MBTL1NPC1
Water SCHEMBL8091139 0.69 GPR3 (0.65) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL9865808 0.69 PSMB8 (0.43) GRIA4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL9266269 0.69 GPR3 (0.46) ALDH1A1MAPTL3MBTL1NPC1RAB9A
Water SCHEMBL28769669 0.67 KDM4E (0.62) ALDH1A1KDM4EMAPTL3MBTL1NPC1
SCHEMBL12750484 0.67 GPR3 (0.44) ALDH1A1KDM4EMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed