SCHEMBL8649759

SCHEMBL8649759

Cc1cc(OCCNc2ccnnc2)cc(N(CC(O)C(O)C(O)CO)S(=O)(=O)c2ccccc2OC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.54
PSMB5 P28074 1/20 0.31
HPGD P15428 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MCL1 Q07820 1/20 0.30
KAT6A Q92794 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL8664965 0.93 F2 (0.62) F2PSMB5HPGD
SCHEMBL7372831 0.92 F2 (0.54) F2PSMB5HPGDBCL2L1MCL1
SCHEMBL8652523 0.92 F2 (0.54) F2HPGD
SCHEMBL7374410 0.91 F2 (0.53) F2PSMB5HPGD
SCHEMBL7409794 0.85 F2 (0.63) F2HPGD
SCHEMBL7373800 0.84 F2 (0.54) F2PSMB5HPGDKAT6A
SCHEMBL7372654 0.83 F2 (0.54) F2PSMB5HPGD
SCHEMBL7412092 0.83 F2 (0.53) F2PSMB5HPGD
SCHEMBL8648794 0.82 F2 (0.51) F2PSMB5HPGDKAT6A
SCHEMBL8648601 0.82 F2 (0.59) F2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed