SCHEMBL9119308

SCHEMBL9119308

O=c1[nH]c2ccccc2n1-c1cc(-c2ccccc2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.72
KCNMA1 Q12791 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FEN1 P39748 1/20 0.48
DAO P14920 1/20 0.44
AURKA O14965 1/20 0.43
PGR P06401 1/20 0.42
AKT2 P31751 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL5439923 0.86 HSP90AA1 (0.66) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL5440366 0.84 HSP90AA1 (0.63) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL5437772 0.83 HSP90AA1 (0.69) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL5132212 0.83 HSP90AA1 (0.78) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL9119941 0.82 HSP90AA1 (0.75) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL9119078 0.81 HSP90AA1 (0.72) HSP90AA1KCNMA1MAPTMEN1CYP1A2
SCHEMBL9117643 0.80 PTPN1 (0.49) HSP90AA1MAPTMEN1KMT2AFEN1
SCHEMBL5438927 0.80 HSP90AA1 (0.57) HSP90AA1FEN1PGRAKT2CLK2
SCHEMBL5436838 0.78 HSP90AA1 (0.73) HSP90AA1PGRAKT2CLK2DYRK1A
SCHEMBL18934795 0.78 HSP90AA1 (0.52) HSP90AA1MAPTMEN1CYP1A2KMT2A

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-0477819-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-03-15 EP disclosed
US-5200422-A Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-04-06 US disclosed
EP-0477819-A2 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-04-01 EP disclosed