SCHEMBL7420301

SCHEMBL7420301

CP(C)(=O)C(=O)N(c1cccc(OCCc2ccc(C=NN)cc2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.39
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL5866107 0.82 KEAP1 (0.52) F2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL5866159 0.80 F2 (0.41) F2CA12CA1CA2CA4
SCHEMBL5866151 0.80 F2 (0.41) F2CA12CA1CA2CA4
SCHEMBL5866154 0.78 F2 (0.38) F2CA12CA1CA2CA4
SCHEMBL5866241 0.71 F2 (0.53) F2MCL1BCL2A1
SCHEMBL5866237 0.71 F2 (0.53) F2MCL1BCL2A1
Hydrochloric Acid SCHEMBL5866103 0.71 F2 (0.52) F2MCL1BCL2A1
SCHEMBL7426642 0.70 SIRT2 (0.43) F2FFAR1MCL1BCL2A1PPARA
SCHEMBL7426627 0.70 SIRT2 (0.43) F2FFAR1MCL1BCL2A1PPARA
SCHEMBL7987610 0.70 MCL1 (0.43) F2FFAR1MCL1BCL2A1PPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US claimed
JP-2000515505-A — — 2000-11-21 — — JP claimed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 — — EP claimed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 — — WO claimed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US disclosed
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