SCHEMBL7334411

SCHEMBL7334411

CCOc1cccc2c(S(=O)(=O)N[C@@H](CCCNc3ccccn3)C(=O)N3CCC(C)CC3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.63
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR10 P46092 1/20 0.47
F10 P00742 1/20 0.45

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
SCHEMBL7334413 1.00 F2 (0.63) F2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7338681 0.87 F2 (0.62) F2
SCHEMBL7338670 0.87 F2 (0.62) F2
SCHEMBL7330027 0.82 F2 (0.61) F2CCR10
SCHEMBL7328667 0.81 F2 (0.75) F2
SCHEMBL7339298 0.81 F2 (0.89) F2
SCHEMBL7339302 0.81 F2 (0.89) F2
SCHEMBL7336656 0.80 F2 (0.63) F2ALDH1A1HPGDCCR10F10
SCHEMBL7331601 0.80 F2 (0.88) F2CCR10
SCHEMBL7331595 0.80 F2 (0.88) F2CCR10

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-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US claimed