SCHEMBL27595035

SCHEMBL27595035

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ESR2 Q92731 6/20 0.39
CEPT1 Q9Y6K0 4/20 0.38
CETP P11597 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ESR1 P03372 4/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL27613973 0.91 MAPT (0.41) MAPTESR2CETPHDAC6ESR1
SCHEMBL27595006 0.90 CASP3 (0.42) MAPTESR2CETPESR1ALDH1A1
SCHEMBL27595010 0.90 ACP1 (0.44) ESR2ALDH1A1HPGDSMN1; SMN2CHRNA7
SCHEMBL27595003 0.90 VSIR (0.40) MAPTCEPT1HDAC6ALDH1A1HPGD
SCHEMBL27595031 0.90 PPARG (0.44) MAPTESR2ESR1SMN1; SMN2RXFP1
SCHEMBL27595030 0.88 HDAC6 (0.43) MAPTESR2CETPHDAC6ESR1
SCHEMBL27613934 0.86 ESR2 (0.35) MAPTESR2ESR1ALDH1A1HPGD
SCHEMBL27595097 0.85 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2RXFP1
SCHEMBL27614030 0.84 RET (0.41) MAPTHDAC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL27595009 0.84 ALDH1A1 (0.44) MAPTESR2CETPESR1ALDH1A1

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