SCHEMBL7306513

SCHEMBL7306513

N#Cc1ccc(Nc2ccccc2)c(N)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
KDM4E B2RXH2 6/20 0.55
MAPT P10636 6/20 0.55
HTT P42858 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDR P35968 1/20 0.39
CHUK O15111 1/20 0.39
CXCR2 P25025 2/20 0.38
CXCR1 P25024 1/20 0.38

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
SCHEMBL2965469 0.81 HTT (0.47) GAAKDM4EMAPTHTTMEN1
SCHEMBL17940697 0.78 KDM4E (0.60) GAAKDM4EMAPTHTTMEN1
SCHEMBL7297460 0.75 L3MBTL1 (0.49) GAAKDM4EMAPTHTTMEN1
SCHEMBL4193660 0.73 GAA (0.54) GAAKDM4EMAPTHTTMEN1
SCHEMBL6067901 0.73 KDM4E (0.63) GAAKDM4EMAPTHTTMEN1
SCHEMBL14739159 0.72 GAA (0.49) GAAKDM4EMAPTHTTMEN1
SCHEMBL17940765 0.71 GAA (1.00) GAAKDM4EMAPTHTTMEN1
SCHEMBL20881623 0.71 KDM4E (0.76) GAAKDM4EMAPTHTTMEN1
SCHEMBL4188631 0.71 AURKA (0.59) GAAKDM4EMAPTHTTMEN1
SCHEMBL21600850 0.70 GAA (0.50) GAAKDM4EMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604353-B1 Benzimidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-07-01 EP disclosed