SCHEMBL5593306

SCHEMBL5593306

Cc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3ccccc3O)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ GAA P10253 4/20 0.65
▸ MAPT P10636 5/20 0.60
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ GFER P55789 2/20 0.55
▸ AGTR1 P30556 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL5616533 0.92 MAPT (0.57) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5616531 0.88 MAPT (0.61) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5592835 0.88 RAB9A (0.61) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5593021 0.85 MAPT (0.64) MEN1KMT2AGAAMAPTNPC1
SCHEMBL29839421 0.85 KMT2A (0.53) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5611752 0.85 MAPT (0.57) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5593146 0.85 KMT2A (0.55) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5592819 0.85 MEN1 (0.67) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5593073 0.83 RAB9A (0.65) MEN1KMT2AGAAMAPTNPC1
SCHEMBL5663516 0.82 MAPT (0.69) MEN1KMT2AGAAMAPTNPC1

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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