SCHEMBL7394115

SCHEMBL7394115

N#CC(c1nc2ccccc2s1)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 3/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK9 P45984 9/20 0.52
MAPK10 P53779 9/20 0.52
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
NSD2 O96028 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4961217 0.78 L3MBTL1 (0.81) L3MBTL1GAAALDH1A1PKMMAPT
SCHEMBL18292261 0.75 L3MBTL1 (0.64) L3MBTL1GAAALDH1A1PKMMAPT
SCHEMBL9455568 0.73 MAPK9 (0.58) ALDH1A1MAPTLMNAKDM4EMAPK9
SCHEMBL7688613 0.73 L3MBTL1 (1.00) L3MBTL1GAAALDH1A1PKMMAPT
SCHEMBL7692277 0.72 GAA (0.67) L3MBTL1GAAALDH1A1PKMMAPT
SCHEMBL7395747 0.71 MAPK10 (0.66) ALDH1A1MAPTLMNAKDM4EMAPK9
SCHEMBL7396493 0.69 MAPK10 (0.64) ALDH1A1MAPTLMNAKDM4EMAPK9
SCHEMBL7400010 0.69 HPGD (0.59) GAAALDH1A1MAPTLMNAMAPK9
SCHEMBL1519025 0.69 MAPK10 (1.00) ALDH1A1MAPTLMNAKDM4EMAPK9
SCHEMBL9455629 0.68 MAPT (0.57) ALDH1A1MAPTLMNAMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 EP claimed
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 EP disclosed