SCHEMBL20847613

SCHEMBL20847613

c1cc2cc(CNC3CC3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.59
▸ MAOA P21397 1/20 0.59
▸ MAOB P27338 1/20 0.59
▸ ALKBH5 Q6P6C2 1/20 0.45
▸ FTO Q9C0B1 1/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL24079865 0.94 KDM1A (0.56) KDM1AMAOAMAOBALKBH5FTO
SCHEMBL1572280 0.83 KDM1A (0.50) KDM1AMAOAMAOBRAB9AMEN1
SCHEMBL15767781 0.78 — —
SCHEMBL15767784 0.78 — —
SCHEMBL13137258 0.78 EPHX1 (0.46) KDM1AMAOAMAOBRAB9AMEN1
SCHEMBL1252143 0.76 KDM1A (0.50) KDM1AMAOAMAOBALKBH5FTO
SCHEMBL29644286 0.76 KDM1A (0.50) KDM1AMAOAMAOBALKBH5FTO
SCHEMBL3705209 0.75 MAP4K4 (0.52) KDM1AMAOAMAOBBACE1NPC1
SCHEMBL17606412 0.75 KDM1A (0.47) KDM1AMAOAMAOBALKBH5FTO
SCHEMBL2756017 0.75 KDM1A (1.00) KDM1AMAOAMAOB

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
WO-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 — — WO disclosed
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