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SCHEMBL8661553

SCHEMBL8661553

CN(C)c1ccc([S+](c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(N(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.37
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KDM1A O60341 1/20 0.30

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
SCHEMBL8319944 0.84 ELANE (0.48) ELANECA2CA12CA1CA9
SCHEMBL8323479 0.84 ELANE (0.48) ELANECA2CA12CA1CA9
SCHEMBL8645498 0.81 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL8322957 0.81 ELANE (0.54) ELANECA2CA12CA1CA9
SCHEMBL8323431 0.81 ELANE (0.54) ELANECA2CA12CA1CA9
Trifluoromethanesulfonic Acid SCHEMBL8387211 0.79 ELANE (0.51) ELANECA2CA12CA1CA9
SCHEMBL8649908 0.78 PSEN1 (0.43) CA2CA12CA1CA9
SCHEMBL8661549 0.78 ELANE (0.38) ELANECA2CA12CA1CA9
SCHEMBL8319671 0.76 ELANE (0.57) ELANECA2CA12CA1CA9
Trifluoromethanesulfonic Acid SCHEMBL7122594 0.74 ELANE (0.47) ELANECA2KDM1A

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
US-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 — — US disclosed