SCHEMBL5330237

SCHEMBL5330237

CN(CCn1nc(-c2ccc(CNCCN(CC(=O)O)S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)ccc1=O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
POLB P06746 2/20 0.34
CNR1 P21554 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
F10 P00742 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5324490 0.91 GLA (0.38) GLAPOLBCNR1TP53MAPT
SCHEMBL5330244 0.90 GLA (0.36) GLAPOLBCNR1TP53MAPT
SCHEMBL5326100 0.78 F10 (0.58) F10
SCHEMBL5327044 0.73 CNR1 (0.40) CNR1
SCHEMBL5329273 0.68 F10 (0.57) TP53F10
SCHEMBL5088795 0.65 F10 (0.63) F10
SCHEMBL5324898 0.65 F10 (0.66) F10
SCHEMBL5090992 0.62 F10 (0.61) F10
SCHEMBL5324672 0.62 F10 (0.64) F10
Hydrochloric Acid SCHEMBL5322543 0.61 F10 (0.63) F10

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-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed