SCHEMBL13920671

SCHEMBL13920671

C=C(C)/N=C(C)\N=C(/N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ F2 P00734 1/20 0.35

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
SCHEMBL25544880 0.75 KMT2A (0.50) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL12645344 0.73 LMNA (0.49) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL23419275 0.72 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL19882238 0.69 LMNA (0.48) GAAPOLBNPSR1CYP2D6NOS3
SCHEMBL17504830 0.69 MAPT (0.54) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL15599673 0.69 MAPT (0.54) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL11123905 0.69 NPC1 (0.60) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL22256398 0.68 CES2 (0.35) MEN1KMT2APOLBNPSR1CYP2D6
SCHEMBL12952461 0.68 KMT2A (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL23284392 0.68 NPC1 (0.46) MEN1KMT2ANPC1RAB9AGAA

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-2039728-A2 Red paint mixture Lanxess Deutschland GmbH (DE) 2009-03-25 — — EP disclosed
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