SCHEMBL1378679

SCHEMBL1378679

C=C[CH]c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC2A1 P11166 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL29490961 0.82
SCHEMBL79940 0.82
SCHEMBL30715313 0.74 HDAC8 (0.47) RAB9AKMT2AMEN1NPC1HDAC8
SCHEMBL3279254 0.73
SCHEMBL5694528 0.73
SCHEMBL4333144 0.73
SCHEMBL4712805 0.68 RAB9A (0.67) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL28914669 0.68 ACHE (0.60) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL8633170 0.68 ALDH1A1 (0.44) RAB9AKMT2AMEN1NPC1HDAC8
SCHEMBL4712807 0.68 RAB9A (0.67) RAB9AKMT2AMEN1NPC1LMNA

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
JP-4764833-B2 2011-09-07 JP claimed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP claimed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO claimed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
US-4128425-A PYRAZOLIDINONE DERIVATIVES POLAROID CORPORATION (US) 1978-12-05 US disclosed