SCHEMBL7701413

SCHEMBL7701413

CCCCCc1c[nH]c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
NOS2 P35228 1/20 0.38
PPARA Q07869 1/20 0.36
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL11221564 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL27667694 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL27667746 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL4750615 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL10972008 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL4579897 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL27868271 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL6417360 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL9190698 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM
SCHEMBL11287381 0.98 KCNH2 (0.50) KCNH2NOS2PPARAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100460395-C Aromatic-cyclo and heterocyclo acylmethyl imidazole salts compound and method for preparing same UNIV YUNNAN (CN) 2009-02-11 CN claimed
CN-1884266-A Aromatic-cyclo and heterocyclo acylmethyl imidazole salts compound and method for preparing same UNIV YUNNAN (CN) 2006-12-27 CN claimed
EP-0479903-B1 SUBSTITUTED IMIDAZOLES USEFUL AS ANGIOTENSIN II BLOCKERS DU PONT (US) 1996-02-21 EP claimed
EP-0479892-A1 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-15 EP claimed
EP-0479903-A1 SUBSTITUTED IMIDAZOLES. DU PONT (US) 1992-04-15 EP claimed
WO-1991000277-A1 SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
CN-100460395-C Aromatic-cyclo and heterocyclo acylmethyl imidazole salts compound and method for preparing same UNIV YUNNAN (CN) 2009-02-11 CN disclosed
CN-1884266-A Aromatic-cyclo and heterocyclo acylmethyl imidazole salts compound and method for preparing same UNIV YUNNAN (CN) 2006-12-27 CN disclosed
EP-1165673-A1 WATER-ABSORBING, CELLULAR, CROSS-LINKED POLYMERS WITH IMPROVED DISTRIBUTION EFFECT, METHOD FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000052087-A1 WATER-ABSORBING, CELLULAR, CROSS-LINKED POLYMERS WITH IMPROVED DISTRIBUTION EFFECT, METHOD FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-09-08 WO disclosed
WO-1998024821-A2 METHOD FOR PRODUCING POLYMERS BY EMULSION POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed
US-5332820-A Diuretic, hypotensive agent, treating congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed
US-5100890-A Antidepressants, Fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5023357-A Arylmethylazole preparation processes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4876354-A FUNGICIDES, ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed