SCHEMBL1432665

SCHEMBL1432665

CCOC(=O)NNc1ccc(CCc2ccc(N3CCN(C(C)=O)CC3)cn2)s1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.68
▸ SYK P43405 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL27809190 0.86 AOC3 (0.67) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL1432480 0.83 AOC3 (0.69) AOC3SYKKDM4EGAAMAPT
SCHEMBL1432778 0.82 AOC3 (0.71) AOC3SYKKDM4EGAAMAPT
SCHEMBL2068499 0.81 AOC3 (0.80) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL2070553 0.81 AOC3 (1.00) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL1432299 0.79 AOC3 (0.82) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL27829408 0.79 AOC3 (0.64) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL27809201 0.79 AOC3 (0.63) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL1432878 0.79 AOC3 (0.74) AOC3KDM4EGAAMAPTALDH1A1
SCHEMBL2068534 0.78 AOC3 (0.78) AOC3KDM4EGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 — — EP claimed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 — — WO claimed
EP-2300430-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2011-03-30 — — EP disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 — — WO disclosed
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