SCHEMBL14567005

SCHEMBL14567005

O=C1C(Cl)=C(NC2CC2)C(=O)c2cc3ccccc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ HTT P42858 8/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ MAPK1 P28482 5/20 0.42
▸ MITF O75030 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL11798271 0.81 MAPT (0.56) MAPTHTTKMT2ALMNAMEN1
SCHEMBL11798305 0.79 MAPT (0.54) MAPTHTTKMT2ALMNAMEN1
SCHEMBL17249971 0.79 MAPT (0.54) MAPTHTTKMT2ALMNAMEN1
SCHEMBL8666029 0.75 IDO1 (0.64) MAPTHTTKMT2ALMNAMEN1
SCHEMBL29562554 0.75 IDO1 (0.64) MAPTHTTKMT2ALMNAMEN1
SCHEMBL6502800 0.71 BCHE (0.76) HTTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL14567007 0.69 KMT2A (0.51) MAPTHTTKMT2ALMNAMEN1
SCHEMBL11864498 0.67 IDO1 (0.46) MAPTHTTKMT2ALMNAMEN1
SCHEMBL14567006 0.67 RAB9A (0.49) MAPTHTTKMT2ALMNAMEN1
SCHEMBL354514 0.66 MEN1 (0.56) MAPTHTTKMT2ALMNAMEN1

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-2007026041-A2 COMPUESTOS QUINÓNICOS ANTITUMORALES Y SUS DERIVADOS, PROCEDIMIENTO DE OBTENCIÓN Y SUS APLICACIONES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-03-08 — — WO disclosed
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