SCHEMBL9528588

SCHEMBL9528588

Cc1nc2cccc(OCc3ccccc3)c2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
STAT3 P40763 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DCPS Q96C86 1/20 0.47
LCK P06239 1/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
BRD4 O60885 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL16428100 0.81 STAT3 (0.46) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL5173716 0.77 MAPT (0.53) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL1137675 0.76 HTT (0.47) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL5564213 0.75 BRD4 (0.50) STAT3HTTSMN1; SMN2NPC1RAB9A
SCHEMBL9270999 0.73 LCK (0.45) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL11114037 0.72 MAPT (0.58) L3MBTL1MAPTMAPK1TDP1ATP4A
SCHEMBL1093046 0.72 MAPK1 (0.53) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL11176047 0.71 ATP4A (0.60) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL19612191 0.70 MAPT (1.00) L3MBTL1MAPTMAPK1TDP1STAT3
SCHEMBL4239447 0.70 NPC1 (0.49) MAPTNPC1RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed