SCHEMBL27613973

SCHEMBL27613973

CN(C)CCNc1cc(C(=O)C=O)c2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
TP53 P04637 6/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CETP P11597 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 4/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTR3A P46098 1/20 0.38
THRB P10828 2/20 0.37
ESR1 P03372 2/20 0.37
CHRNA7 P36544 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL27595006 0.91 CASP3 (0.42) MAPTTP53HPGDALDH1A1RAB9A
SCHEMBL27595035 0.91 MAPT (0.39) MAPTHPGDALDH1A1CETPSMN1; SMN2
SCHEMBL27595010 0.91 ACP1 (0.44) HPGDKDM4EALDH1A1RAB9AHSD17B10
SCHEMBL27595031 0.90 PPARG (0.44) MAPTTP53RAB9ASMN1; SMN2ESR2
SCHEMBL27595030 0.89 HDAC6 (0.43) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL27613934 0.86 ESR2 (0.35) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL27614030 0.85 RET (0.41) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL27595009 0.85 ALDH1A1 (0.44) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL27595003 0.85 VSIR (0.40) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL27595021 0.85 KDM4E (0.48) MAPTTP53HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100425600-C Benzothiazole-and benzo \\58743, oxazole-4, 7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-10-15 CN claimed
CN-1842522-A Benzothiazole-4, 7-diones and benzoxazole-4, 7-diones with substituents in position 5 or 6 and process for their preparation SOD CONSEILS RECH APPLIC (FR) 2006-10-04 CN claimed
CN-1610675-A Benzothiazole- and benzoxazole-4,7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2005-04-27 CN claimed
CN-100425600-C Benzothiazole-and benzo \\58743, oxazole-4, 7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-10-15 CN disclosed
CN-1610675-A Benzothiazole- and benzoxazole-4,7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2005-04-27 CN disclosed