SCHEMBL10520554

SCHEMBL10520554

O=C(O)C(=O)Nc1nc(-c2cc(-c3ccccc3)on2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GSTO1 P78417 1/20 0.48
ELOVL1 Q9BW60 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46

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
Monoethanolamine SCHEMBL10517322 0.92 ELOVL1 (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10519457 0.90 RAB9A (0.47) RAB9ANPC1KMT2AMEN1MAPT
Lysine SCHEMBL10518860 0.84 HDAC6 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10518851 0.84 PARP1 (0.53) RAB9ANPC1KMT2AMEN1MAPT
Monoethanolamine SCHEMBL10518089 0.84 RAB9A (0.52) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10517317 0.83 POLB (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11136424 0.82 MAPT (0.68) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10517375 0.80 PARP1 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10519229 0.76 KMT2A (0.41) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10921715 0.76 MAPT (0.72) RAB9ANPC1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190298-B1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON S.p.A. (IT) 1989-10-18 EP disclosed
US-4766137-A 4-(isoxazolyl)-thiazole-2-oxamic acids and derivatives thereof ZAMBON S.P.A. (IT) 1988-08-23 US disclosed