SCHEMBL2768071

SCHEMBL2768071

Clc1cccc(Cl)c1CNc1noc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK1 Q9BQI3 3/20 0.40
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
JAK2 O60674 1/20 0.35
ACHE P22303 1/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
KCNA5 P22460 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL12426108 0.73 KCNA5 (0.48) EPHX2JAK2ACHEHTTKCNA5
SCHEMBL12426115 0.73 EPHX2 (0.52) EPHX2SMN1; SMN2HDAC3HDAC6LMNA
SCHEMBL2442079 0.72 SMN1; SMN2 (0.61) SMN1; SMN2TP53LMNAALDH1A1HPGD
SCHEMBL26633206 0.71 EPHX2 (0.39) EPHX2ACHEHTTALDH1A1BRD4
SCHEMBL31134674 0.71 HTT (0.34) EPHX2ACHELMNAHTTKCNA5
SCHEMBL27167738 0.70 APEX1 (0.51) PDCD1CD274LMNATSHRALDH1A1
SCHEMBL30703658 0.69 APEX1 (0.38) EPHX2SMN1; SMN2TP53LMNAHTT
SCHEMBL20393976 0.69 ACHE (0.39) SMN1; SMN2JAK2ACHEHTTALDH1A1
SCHEMBL2768912 0.68 PDE5A (0.44) EPHX2SMN1; SMN2TP53TSHRALDH1A1
SCHEMBL2144813 0.67 PRNP (0.44) EPHX2SMN1; SMN2TP53HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO disclosed