SCHEMBL8697599

SCHEMBL8697599

COc1c(OS(=O)(=O)c2ccccc2Cl)cc(C)cc1C1CCN(C(=N)N)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.58
F10 P00742 2/20 0.58
PRSS2 P07478 2/20 0.58
CTRC Q99895 2/20 0.53
HTR6 P50406 1/20 0.44

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
Hydrochloric Acid SCHEMBL8696195 0.92 F2 (0.58) F2F10PRSS2CTRC
SCHEMBL8696254 0.91 F2 (0.62) F2F10PRSS2CTRCHTR6
SCHEMBL8696125 0.91 F2 (0.63) F2F10PRSS2CTRCHTR6
Hydrochloric Acid SCHEMBL8696331 0.91 F2 (0.56) F2F10PRSS2CTRCHTR6
SCHEMBL8695379 0.89 F2 (0.60) F2F10PRSS2CTRCHTR6
Hydrochloric Acid SCHEMBL8699854 0.89 F2 (0.60) F2F10PRSS2CTRCHTR6
Hydrochloric Acid SCHEMBL8694939 0.89 F2 (0.56) F2F10PRSS2CTRC
SCHEMBL8697958 0.88 F2 (0.46) F2F10PRSS2CTRCHTR6
SCHEMBL8695300 0.88 F2 (0.56) F2F10PRSS2CTRCHTR6
Hydrochloric Acid SCHEMBL8696323 0.88 F2 (0.49) F2F10PRSS2CTRC

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-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US claimed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed