SCHEMBL10507488

SCHEMBL10507488

COc1ccc(/C=C/c2ccc3c(=O)n(-c4ccccc4)ncc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45

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
SCHEMBL10507500 1.00 NPBWR1 (0.51) NPBWR1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL10508351 0.94 SMN1; SMN2 (0.50) NPBWR1SMN1; SMN2NPSR1ALDH1A1GAA
SCHEMBL10508337 0.94 SMN1; SMN2 (0.50) NPBWR1SMN1; SMN2NPSR1ALDH1A1GAA
SCHEMBL10509051 0.89 NPBWR1 (0.53) NPBWR1SMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL10509058 0.89 NPBWR1 (0.53) NPBWR1SMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL10510119 0.85 PTGS2 (0.49) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL10510131 0.85 PTGS2 (0.49) SMN1; SMN2ALDH1A1KDM4EHTTLMNA
SCHEMBL10509004 0.84 NPBWR1 (0.50) NPBWR1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL10509418 0.84 GRM7 (0.47) CYP3A4NPSR1ALDH1A1GAAKDM4E
SCHEMBL10509429 0.84 GRM7 (0.47) CYP3A4NPSR1ALDH1A1GAAKDM4E

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-0164593-B1 ANTI-INFLAMMATORY PHTHALAZINONES FISONS CORPORATION (US) 1989-11-15 — — EP disclosed
US-4665181-A Anti-inflammatory phthalazinones PENNWALT CORPORATION (US) 1987-05-12 — — US disclosed
EP-0164593-A1 Anti-inflammatory phthalazinones FISONS CORPORATION (US) 1985-12-18 — — EP disclosed
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