SCHEMBL9671229

SCHEMBL9671229

COc1ccc(C(=O)N2CCN(CCCl)CC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.64
▸ POLB P06746 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ GAA P10253 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ LMNA P02545 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ HPGD P15428 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ATM Q13315 1/20 0.57

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
SCHEMBL11025208 0.85 POLB (0.68) ALDH1A1POLBKDM4ESMN1; SMN2GAA
SCHEMBL10914671 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL16134867 0.83 POLB (0.70) KMT2AALDH1A1POLBCYP2C19KDM4E
SCHEMBL9513235 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL10915286 0.83 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL31178415 0.83 KMT2A (0.83) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL9512949 0.83 KMT2A (0.83) KMT2AMEN1ALDH1A1POLBCYP2C19
SCHEMBL10977359 0.82 DRD2 (0.73) DRD3HPGD
SCHEMBL25732912 0.82 KDM4E (0.80) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL31326927 0.82 KDM4E (0.80) KMT2AMEN1ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 — — EP disclosed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 — — US disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 — — EP disclosed
EP-0040793-B1 NOVEL QUINAZOLINE-DIONE COMPOUNDS, PROCESS FOR PRODUCTION THEREOF AND PHARMACEUTICAL USE THEREOF Ishikawa, Masayuki (JP) 1985-08-28 — — EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 — — US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 — — EP disclosed
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