SCHEMBL7672912

SCHEMBL7672912

O=C(Cl)c1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
TNF P01375 3/20 0.44
ALOX5AP P20292 1/20 0.44
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.43
NOD2 Q9HC29 2/20 0.43
NOD1 Q9Y239 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PPARG P37231 1/20 0.42
TSHR P16473 1/20 0.41
CCR2 P41597 1/20 0.41

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
Hydrochloric Acid SCHEMBL6168624 0.99 ALDH1A2 (0.45) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL6169577 0.91 ALOX5AP (0.47) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL7675357 0.90 JAK2 (0.51) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL7673764 0.86 PDE2A (0.51) ALDH1A1TNFALOX5APMCHR1NOD2
SCHEMBL6170906 0.84 PKM (0.46) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL6172347 0.82 RAB9A (0.45) ALDH1A1TNFTP53KDM4ENPC1
SCHEMBL6170082 0.82 PDE2A (0.49) ALDH1A1TNFALOX5APNOD2NOD1
SCHEMBL7705354 0.81 HRH1 (0.38) ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3
SCHEMBL6168534 0.81 PDE2A (0.53) ALDH1A1TP53KDM4ERAB9A
SCHEMBL7671121 0.79 AGTR1 (0.54) ALDH1A1TNFTP53NOD2NOD1

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 5 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 claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
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
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