SCHEMBL8650989

SCHEMBL8650989

COC(=O)CCCc1cc(CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
NAMPT P43490 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLS O94925 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8651290 0.94 PTPN1 (0.41) PTPN1NAMPTCA1CA2LMNA
SCHEMBL7551652 0.87 PDGFRB (0.46) PTPN1NAMPTCA1CA2LMNA
SCHEMBL8650394 0.84 L3MBTL1 (0.42) PTPN1NAMPTCA1CA2LMNA
SCHEMBL8652875 0.83 CA1 (0.43) NAMPTCA1CA2GLSSMN1; SMN2
SCHEMBL22526720 0.79 NAMPT (0.49) NAMPTCA1CA2ALDH1A1TDP1
SCHEMBL5718757 0.79 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL8650237 0.79 L3MBTL1 (0.40) PTPN1NAMPTLMNATDP1MAPT
SCHEMBL31305194 0.78 KMT2A (0.47) NAMPTCA1CA2ALDH1A1TDP1
SCHEMBL135312 0.78 KMT2A (0.47) NAMPTCA1CA2ALDH1A1TDP1
SCHEMBL474165 0.77 DTYMK (0.44) NAMPTCA1CA2CYP1A2CYP3A4

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-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed