SCHEMBL6583626

SCHEMBL6583626

Cc1c([N+](=O)[O-])ccc2[nH]c(C#N)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CTSB P07858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6142554 0.82 TDP1 (0.46) TDP1MGAMGAASIMGAM2
SCHEMBL8126648 0.78 TDP1 (0.42) TDP1MGAMGAASIMGAM2
SCHEMBL6579698 0.78 TDP1 (0.44) TDP1MGAMGAASIMGAM2
SCHEMBL6583629 0.77 GRIA1 (0.39) PSMB8TDP1CTSBSMN1; SMN2GRIA1
SCHEMBL6583417 0.76 MEN1 (0.43) PSMB8TDP1GAASMN1; SMN2MAPT
SCHEMBL28193453 0.74 GAA (0.40) TDP1MGAMGAASIMGAM2
SCHEMBL6142336 0.69 SMN1; SMN2 (0.38) TDP1MGAMGAASIMGAM2
SCHEMBL27647699 0.68 TDP1 (0.44) TDP1CTSBSMN1; SMN2MAPTCYP1A2
SCHEMBL6142551 0.68 MEN1 (0.53) TDP1CTSBSMN1; SMN2MAPTRAB9A
SCHEMBL15436004 0.68 ALDH1A1 (0.44) GAAMAPTRAB9ATSHR

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-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
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