SCHEMBL2644131

SCHEMBL2644131

O=[N+]([O-])c1cccc(-c2ccncn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ PLK1 P53350 1/20 0.54
▸ IDO1 P14902 1/20 0.54
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ABL1 P00519 2/20 0.50
▸ BCR P11274 2/20 0.50
▸ PRKCA P17252 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PDE4D Q08499 2/20 0.49
▸ TOP1 P11387 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4C Q08493 1/20 0.49

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
SCHEMBL2643483 0.82 NPC1 (0.67) NPC1RAB9APLK1IDO1BCHE
SCHEMBL29496950 0.82 NPC1 (0.67) NPC1RAB9APLK1IDO1BCHE
SCHEMBL29496951 0.82 NPC1 (0.67) NPC1RAB9APLK1IDO1BCHE
SCHEMBL8558988 0.80 MEN1 (0.53) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL30461136 0.80 RAB9A (0.69) NPC1RAB9APLK1IDO1BCHE
SCHEMBL30461135 0.80 RAB9A (0.69) NPC1RAB9APLK1IDO1BCHE
SCHEMBL2649031 0.80 MAPT (0.64) NPC1RAB9AIDO1BCHEMAPT
SCHEMBL6674013 0.79 RAB9A (0.57) NPC1RAB9APLK1IDO1BCHE
SCHEMBL6231939 0.79 RAB9A (0.60) NPC1RAB9APLK1IDO1BCHE
SCHEMBL4427261 0.78 NPC1 (0.52) NPC1RAB9APLK1IDO1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089762-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEUROSEARCH AS (DK) 2002-08-28 — — CN disclosed
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 — — EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 — — EP disclosed
CN-1072669-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEURORES AS (DK) 2001-10-10 — — CN disclosed
EP-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 — — EP disclosed
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 — — US disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 — — US disclosed
CN-1182425-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH AS (DK) 1998-05-20 — — CN disclosed
CN-1182427-A Benzimidazole compounds and their use as modulators of GABA receptor complexes NEUROSEARCH AS (DK) 1998-05-20 — — CN disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 — — EP disclosed
EP-0821682-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 — — EP disclosed
WO-1996033191-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 — — WO disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 — — WO disclosed
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