SCHEMBL6581516

SCHEMBL6581516

Cc1cc2nc[nH]c2c(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PRKCI P41743 1/20 0.37
RAD52 P43351 1/20 0.36
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
LMNA P02545 1/20 0.34
DRD3 P35462 1/20 0.34
XDH P47989 1/20 0.34
LRRK2 Q5S007 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
Hydrochloric Acid SCHEMBL30510214 0.85 KDM4E (0.38) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL11097776 0.83 PARP1 (0.35) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL7090538 0.76 PRKCI (0.41) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL24659644 0.72 MAPT (0.35) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL26795564 0.72 PI4KA (0.38) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL4605903 0.72 MAPT (0.43) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL6581871 0.72 PRKCI (0.41) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL6579717 0.72 MEN1 (0.51) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL8404371 0.71 PARP1 (0.43) KDM4EMAPTALDH1A1TDP1APEX1
SCHEMBL29503821 0.71 PARP1 (0.39) KDM4EMAPTALDH1A1PRKCIRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
CN-1256691-A 5-(2-imidazolinylamino) benzimidazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-06-14 CN disclosed
EP-0975627-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-02 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed
WO-1998046595-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-10-22 WO disclosed