SCHEMBL10517375

SCHEMBL10517375

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10519957 0.93 PARP1 (0.49) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10518851 0.91 PARP1 (0.53) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10517317 0.87 POLB (0.44) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL11120333 0.87 PARP1 (0.59) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10518463 0.83 ALDH1A1 (0.40) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10520598 0.83 KMT2A (0.52) PARP1MAPTKMT2ARAB9ANPC1
Asobamast SCHEMBL2111159 0.82 ALDH1A1 (0.46) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10519201 0.82 ALDH1A1 (0.44) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10518912 0.82 ALDH1A1 (0.41) PARP1MAPTKMT2ARAB9ANPC1
SCHEMBL10520495 0.81 ALDH1A1 (0.43) PARP1MAPTKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191045-B1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.p.A. (IT) 1989-12-20 EP disclosed
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
US-4766138-A Use of 4-(isoxazolyl)-thiazole-2-oxamic acid derivatives ZAMBON S.P.A. (IT) 1988-08-23 US disclosed
EP-0191045-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES. ZAMBON SPA (IT) 1986-08-20 EP disclosed
EP-0190298-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF. ZAMBON SPA (IT) 1986-08-13 EP disclosed
WO-1986000899-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.P.A. (IT) 1986-02-13 WO disclosed
WO-1986000900-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON, S.P.A. (IT) 1986-02-13 WO disclosed