SCHEMBL5592813

SCHEMBL5592813

Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ GAA P10253 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 7/20 0.46
▸ HTT P42858 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL5592835 0.87 RAB9A (0.61) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5593146 0.86 KMT2A (0.55) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5592893 0.84 RAB9A (0.61) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5592857 0.80 MAPT (0.65) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5593021 0.75 MAPT (0.64) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5593306 0.75 MEN1 (0.65) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5592819 0.75 MEN1 (0.67) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5663516 0.73 MAPT (0.69) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL5593043 0.72 MAPT (0.72) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL5593115 0.71 MAPT (0.60) RAB9ANPC1GAAMEN1KMT2A

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
WO-2007074238-A2 NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS TROPHOS (FR) 2007-07-05 — — WO claimed
WO-2007074238-A2 NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS TROPHOS (FR) 2007-07-05 — — WO disclosed
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