SCHEMBL9770674

SCHEMBL9770674

Cc1cc(C)c2nc3sccn3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 4/20 0.46
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.42
TP53 P04637 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.37

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
SCHEMBL9537313 0.79 GAA (0.52) CYP1A2TDP1PKMSMN1; SMN2LMNA
SCHEMBL9770730 0.73 TDP1 (0.50) CYP1A2TDP1PKMALOX15MAPK1
SCHEMBL10994685 0.69 CYP1A2 (0.70) CYP1A2TDP1PKMMAPK1SMN1; SMN2
SCHEMBL9535392 0.69 CYP1A2 (0.55) CYP1A2TDP1PKMALOX15MAPK1
SCHEMBL9534148 0.69 CYP1A2 (0.55) CYP1A2TDP1PKMALOX15MAPK1
SCHEMBL10696259 0.68 CYP1A2 (0.43) CYP1A2TDP1PKMALDH1A1SMN1; SMN2
SCHEMBL11465861 0.68 MAPK1 (0.39) CYP1A2TDP1PKMALOX15MAPK1
SCHEMBL9535677 0.68 TDP1 (0.50) CYP1A2TDP1PKMALDH1A1SMN1; SMN2
SCHEMBL9536991 0.68 CYP1A2 (0.50) CYP1A2TDP1PKMALDH1A1SMN1; SMN2
SCHEMBL10997189 0.67 CYP1A2 (0.66) CYP1A2TDP1PKMALOX15MAPK1

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
US-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed