SCHEMBL2644088

SCHEMBL2644088

O=[N+]([O-])c1cc(I)ccc1Nc1cccc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
HCAR3 P49019 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 1/20 0.41
AKR1C4 P17516 4/20 0.41
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1C1 Q04828 4/20 0.41
AKR1B1 P15121 2/20 0.41
AKR1B10 O60218 1/20 0.41

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
SCHEMBL2645891 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1ABL1BCR
SCHEMBL2647819 0.83 HCAR3 (0.53) MEN1KMT2AHCAR3MAPTPOLB
SCHEMBL2645152 0.80 RET (0.45) MEN1KMT2AL3MBTL1TLR4TLR2
Fluoride SCHEMBL2643534 0.80 MAPT (0.42) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL2643138 0.79 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ABL1BCR
SCHEMBL6798244 0.79 MAPT (0.52) MEN1KMT2AL3MBTL1ABL1BCR
SCHEMBL7304083 0.79 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL2644119 0.78 HTT (0.50) MEN1KMT2AL3MBTL1MAPTALDH1A1
Fluoride SCHEMBL27482913 0.76 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1HCAR3MAPT
SCHEMBL30103987 0.74 CNR1 (0.56) MEN1KMT2AL3MBTL1ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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