SCHEMBL9359178

SCHEMBL9359178

CN(C)CC=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.50
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ALOX5 P09917 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9358925 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAABCL9CTNNB1
SCHEMBL9359218 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAABCL9CTNNB1
SCHEMBL9359221 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAABCL9CTNNB1
SCHEMBL9359292 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9358937 0.75 MAPT (0.50) ALDH1A1MAPTKDM4ELMNA
SCHEMBL9358928 0.73 LMNA (0.45) LMNA
SCHEMBL9359118 0.73 SLC6A4 (0.44) ALDH1A1
SCHEMBL27258958 0.73 GAA (0.56) ALDH1A1SMN1; SMN2GAABCL9CTNNB1
SCHEMBL27258957 0.73 GAA (0.56) ALDH1A1SMN1; SMN2GAABCL9CTNNB1
SCHEMBL527544 0.72 KMT2A (0.71) ALDH1A1SMN1; SMN2GAACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP claimed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US claimed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO claimed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP claimed
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP disclosed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US disclosed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed