SCHEMBL7675357

SCHEMBL7675357

NC(=O)c1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.51
▸ JAK1 P23458 8/20 0.51
▸ TYK2 P29597 8/20 0.51
▸ JAK3 P52333 8/20 0.51
▸ ALOX5AP P20292 2/20 0.48
▸ TNF P01375 3/20 0.47
▸ NOD2 Q9HC29 2/20 0.47
▸ NOD1 Q9Y239 2/20 0.47
▸ ALDH1A2 O94788 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALDH2 P05091 1/20 0.47
▸ ALDH3A1 P30838 1/20 0.47
▸ ALDH1A3 P47895 1/20 0.47
▸ DPP4 P27487 3/20 0.47
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7672912 0.90 ALDH1A2 (0.45) ALOX5APTNFNOD2NOD1ALDH1A2
SCHEMBL6169577 0.90 ALOX5AP (0.47) ALOX5APTNFALDH1A2ALDH1A1ALDH2
Hydrochloric Acid SCHEMBL6168624 0.89 ALDH1A2 (0.45) ALOX5APTNFNOD2NOD1ALDH1A2
SCHEMBL7673764 0.85 PDE2A (0.51) ALOX5APTNFNOD2NOD1ALDH1A1
SCHEMBL6170906 0.83 PKM (0.46) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL6172347 0.81 RAB9A (0.45) TNFALDH1A1TP53KDM4E
SCHEMBL7669027 0.81 TP53 (0.53) ALOX5APTNFNOD2NOD1ALDH1A2
SCHEMBL6170082 0.81 PDE2A (0.49) ALOX5APTNFNOD2NOD1ALDH1A1
SCHEMBL7705354 0.80 HRH1 (0.38) ALOX5APTNFALDH1A2ALDH1A1ALDH2
SCHEMBL6168534 0.80 PDE2A (0.53) ALDH1A1TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 — — US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 — — EP disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 — — US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — EP disclosed
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