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SCHEMBL5334159

SCHEMBL5334159

Cn1nc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)CC2)ccc1=O.Cn1nc(N2CCC(C(=O)O)CC2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ USP2 O75604 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL4936118 0.97 F10 (0.49) F10KLK1CNR1USP2ALDH1A1
SCHEMBL4938175 0.94 USP2 (0.49) F10KLK1CNR1USP2ALDH1A1
SCHEMBL4939620 0.85 HRH3 (0.40) F10KLK1USP2HTTSMN1; SMN2
SCHEMBL4942713 0.83 NPSR1 (0.47) F10KLK1CNR1USP2ALDH1A1
SCHEMBL4938153 0.82 SMO (0.49) F10KLK1CNR1USP2ALDH1A1
SCHEMBL4941913 0.82 F10 (0.50) F10KLK1CNR1USP2ALDH1A1
SCHEMBL4941429 0.82 F10 (0.66) F10CNR1USP2HTTSMN1; SMN2
SCHEMBL5398205 0.79 F10 (0.48) F10KLK1
SCHEMBL4936184 0.79 F10 (0.48) F10KLK1
SCHEMBL4938904 0.79 F10 (0.55) F10KLK1ALDH1A1LMNAKMT2A

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
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed