SCHEMBL13299906

SCHEMBL13299906

N#Cc1ccc(C#Cc2ccc(NC(=O)c3cc(N)cc(C(=O)Nc4ccc(C#Cc5ccc(C#N)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ F2 P00734 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ SNCA P37840 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ESR1 P03372 1/20 0.47

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
SCHEMBL13065664 0.91 KCNH2 (0.53) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL13023122 0.90 MLYCD (0.44) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL13023087 0.87 MEN1 (0.50) MEN1KMT2ANPC1RAB9AF2
SCHEMBL13023104 0.85 MEN1 (0.58) MEN1KMT2ANPC1RAB9AF2
SCHEMBL13023110 0.85 TP53 (0.58) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL13023096 0.85 RAB9A (0.56) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL20379456 0.81 MEN1 (0.73) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL14825225 0.80 SCN10A (0.60) MLYCDMEN1KMT2ANPC1RAB9A
SCHEMBL13023046 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL13023076 0.79 LMNA (0.63) MEN1KMT2ANPC1RAB9ASNCA

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-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 — — EP disclosed
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