SCHEMBL27595010

SCHEMBL27595010

CN(C)CCNc1cc(C(=O)C=O)c2oc(-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.44
VSIR Q9H7M9 2/20 0.43
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
SLC2A1 P11166 1/20 0.39
ESR2 Q92731 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27595086 0.92 KDM4E (0.42) ACP1VSIRDHODHKDM4ENPC1
SCHEMBL27613973 0.91 MAPT (0.41) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27595006 0.90 CASP3 (0.42) NPC1RAB9AALDH1A1POLBESR2
SCHEMBL27595035 0.90 MAPT (0.39) SMN1; SMN2ALDH1A1ESR2HPGDCHRNA7
SCHEMBL27595003 0.90 VSIR (0.40) ACP1VSIRKDM4ENPC1RAB9A
SCHEMBL27595031 0.89 PPARG (0.44) NPC1RAB9ASMN1; SMN2POLBESR2
SCHEMBL27595030 0.88 HDAC6 (0.43) KDM4ESMN1; SMN2ALDH1A1ESR2HPGD
SCHEMBL27595021 0.87 KDM4E (0.48) VSIRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28753729 0.87 L3MBTL1 (0.42) ACP1VSIRKDM4ENPC1RAB9A
SCHEMBL27595097 0.87 MAPT (0.44) ACP1VSIRKDM4ENPC1RAB9A

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 4 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-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