SCHEMBL7309913

SCHEMBL7309913

Cc1cnc2c(S(=O)(=O)NC(CCCSc3ncc[nH]3)C(=O)N3CCC(C)CC3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.46
CCR10 P46092 3/20 0.45
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7309906 1.00 F2 (0.46) F2CCR10F10PLAUALDH1A1
SCHEMBL7321850 0.85 F2 (0.49) F2CCR10F10PLAUALDH1A1
SCHEMBL7321857 0.85 F2 (0.49) F2CCR10F10PLAUALDH1A1
SCHEMBL9056442 0.83 CCR10 (0.44) F2CCR10F10PLAUALDH1A1
SCHEMBL7318094 0.82 F2 (0.62) F2CCR10PLAU
SCHEMBL7318088 0.82 F2 (0.62) F2CCR10PLAU
SCHEMBL7307781 0.82 F2 (0.68) F2
SCHEMBL7307775 0.82 F2 (0.68) F2
SCHEMBL7307789 0.82 F2 (0.68) F2
SCHEMBL7312300 0.82 CCR10 (0.48) F2CCR10F10PLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US claimed
US-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed