SCHEMBL2652841

SCHEMBL2652841

Cc1cc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.65
NPC1 O15118 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSP90AA1 P07900 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 3/20 0.54
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51

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
SCHEMBL7491879 0.81 PARP1 (0.62) ABCB1NPC1KMT2AMEN1MAPT
SCHEMBL8554782 0.77 ABCB1 (0.72) ABCB1NPC1KMT2AMEN1ALDH1A1
SCHEMBL10651902 0.74 SIRT2 (0.51) ABCB1NPC1KMT2AMEN1MAPT
SCHEMBL27730417 0.72 MAPT (0.48) ABCB1NPC1KMT2AMEN1MAPT
SCHEMBL28484392 0.72 CHUK (0.67) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL30455197 0.72 PARP1 (0.68) NPC1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL1135541 0.72 PARP1 (0.68) NPC1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL3416713 0.72 SMN1; SMN2 (0.45) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL17950637 0.72 MEN1 (0.51) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL26164139 0.71 PARP1 (0.71) NPC1KMT2AMAPTALDH1A1L3MBTL1

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-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 EP disclosed