SCHEMBL13699464

SCHEMBL13699464

C=CCC(=O)c1ccc2nn(-c3cc(CO)ccc3O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
PLAA Q9Y263 1/20 0.30

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
SCHEMBL13700389 0.83 MEN1 (0.41) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13699485 0.82 KMT2A (0.43) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13700393 0.79 CA12 (0.44) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13700394 0.78 CA12 (0.50) NPC1LMNARAB9AHPGD
SCHEMBL13700403 0.77 TP53 (0.40) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13700398 0.76 ALDH1A1 (0.48) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL76414 0.74 NPC1 (0.61) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL30240912 0.74 NPC1 (0.61) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13700392 0.74 NPC1 (0.47) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL13699403 0.74 NPC1 (0.43) MEN1KMT2ANPC1LMNARAB9A

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-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed