SCHEMBL8885308

SCHEMBL8885308

COc1ccc(CCNC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 1/20 0.61
COXFA4 O00483 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ROCK2 O75116 1/20 0.48
EPAS1 Q99814 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8884278 0.89 RAB9A (0.55) MAPTSMN1; SMN2RAB9ANPC1COXFA4
SCHEMBL8882853 0.87 NPC1 (0.56) SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL8884766 0.86 RAB9A (0.51) MAPTSMN1; SMN2RAB9ANPC1COXFA4
SCHEMBL8883383 0.83 COXFA4 (0.52) MAPTSMN1; SMN2RAB9ANPC1COXFA4
SCHEMBL8882813 0.82 MEN1 (0.52) MAPTRAB9ANPC1COXFA4KMT2A
SCHEMBL8884505 0.81 COXFA4 (0.48) MAPTSMN1; SMN2RAB9ANPC1COXFA4
SCHEMBL8885313 0.81 NPC1 (0.52) SMN1; SMN2RAB9ANPC1COXFA4KMT2A
SCHEMBL8883913 0.80 HSP90AA1 (0.51) SMN1; SMN2RAB9ANPC1COXFA4KDM4E
SCHEMBL8885457 0.80 COXFA4 (0.47) MAPTSMN1; SMN2RAB9ANPC1COXFA4
SCHEMBL30874650 0.80 COXFA4 (0.53) MAPTSMN1; SMN2RAB9ANPC1COXFA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed