SCHEMBL6967646

SCHEMBL6967646

CC(C)(C)c1cc(OCCN(CCc2ccc([N+](=O)[O-])cc2)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.60
PPARD Q03181 2/20 0.46
NR1H4 Q96RI1 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CDC25C P30307 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL4400155 0.89 KCNH2 (0.57) KCNH2PPARDNR1H4MEN1KMT2A
SCHEMBL6974702 0.85 NR1H4 (0.40) KCNH2NR1H4MEN1KMT2AALDH1A1
SCHEMBL6976565 0.76 NOS1 (0.42)
SCHEMBL6976561 0.76 NOS1 (0.42)
SCHEMBL16682345 0.75 KCNH2 (0.73) KCNH2PPARDSMN1; SMN2ALDH1A1LMNA
SCHEMBL4325032 0.75 L3MBTL1 (0.50) KCNH2PPARDNR1H4MEN1KMT2A
SCHEMBL4478117 0.74 ADRB3 (0.40) KCNH2NR1H4MEN1KMT2AALDH1A1
SCHEMBL20380500 0.72 CRHBP (0.59) KCNH2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16107591 0.72 KCNH2 (0.51) KCNH2KMT2AL3MBTL1CDC25C
SCHEMBL4400153 0.71 MEN1 (0.40) KCNH2PPARDNR1H4MEN1KMT2A

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
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-1115719-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO disclosed