SCHEMBL5265016

SCHEMBL5265016

O=C(O)Oc1ccc2nc3ccccc3nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.56
MEN1 O00255 8/20 0.56
ALDH1A1 P00352 7/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
NQO2 P16083 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 8/20 0.46
TP53 P04637 1/20 0.46
PABPC1 P11940 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 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
SCHEMBL7760476 0.94 KMT2A (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL11084120 0.85 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL7760052 0.85 RAB9A (0.57) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL9812280 0.84 TDP1 (0.39) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL10692489 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1RAB9ANPC1
Naphthalene SCHEMBL1131780 0.76 KMT2A (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1563903 0.76 KMT2A (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29937281 0.76 KMT2A (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9640851 0.76 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL4710387 0.76 MAPT (0.54) KMT2AMEN1ALDH1A1RAB9ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891182-B1 ENZYME ASSISTED DYEING OF KERATINOUS FIBRES NOVOZYMES AS (DK) 2001-11-14 EP claimed
EP-0863950-B1 HAIR DYEING COMPOSITION NOVOZYMES AS (DK) 2001-10-10 EP claimed
EP-0865465-B1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVOZYMES AS (DK) 2001-05-30 EP claimed
EP-1448530-B1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-10-03 EP disclosed
EP-1448530-A1 HETEROARYL CARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-08-25 EP disclosed
WO-2003043991-A1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-05-30 WO disclosed