SCHEMBL5593125

SCHEMBL5593125

Cc1cccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccc(O)cc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ MAPT P10636 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ HTT P42858 2/20 0.57
▸ GAA P10253 3/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.49
▸ MCL1 Q07820 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL5593128 1.00 RAB9A (0.62) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593050 0.94 RAB9A (0.55) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593046 0.94 RAB9A (0.55) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593073 0.91 RAB9A (0.65) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593177 0.90 MAPT (0.72) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5592826 0.89 MAPT (0.65) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5592821 0.89 MAPT (0.70) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593012 0.86 MAPT (0.61) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593141 0.85 MEN1 (0.61) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5593144 0.85 MEN1 (0.61) RAB9ANPC1MAPTKDM4EMEN1

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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