SCHEMBL6580787

SCHEMBL6580787

O=S(=O)(Nc1cccc(OC2CCN(c3ccncc3)CC2)c1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.48
BRAF P15056 1/20 0.46
F10 P00742 7/20 0.46
PGR P06401 1/20 0.45
HTR6 P50406 6/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
CYP17A1 P05093 1/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 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
SCHEMBL5632729 0.86 F2 (0.55) GHSRF10PGRHTR6MAPT
SCHEMBL7124112 0.80 F2 (0.46) GHSRF10HTR6MAPTF2
SCHEMBL5632002 0.77 ALDH1A1 (0.49) GHSRF10F2
SCHEMBL5632000 0.77 ALDH1A1 (0.49) GHSRF10F2
SCHEMBL5633771 0.76 KMT2A (0.59) GHSRF10PGRHTR6MAPT
SCHEMBL5632397 0.74 F10 (0.58) F10F2
SCHEMBL5633181 0.73 F10 (0.48) F10CYP17A1F2
SCHEMBL5633179 0.73 F10 (0.48) F10CYP17A1F2
SCHEMBL7119023 0.72 F10 (0.51) F10F2
SCHEMBL8546329 0.71 F2 (0.73) BRAFPGRCYP17A1F2

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
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP claimed