SCHEMBL9036775

SCHEMBL9036775

CCN(C)c1nc2ccc(OC)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.54
PDK1 Q15118 1/20 0.54
RAB9A P51151 6/20 0.52
APP P05067 4/20 0.52
TP53 P04637 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
WNT3A P56704 1/20 0.51
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL14554383 0.85 CYP1A2 (0.55) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11011214 0.81 CYP1A2 (0.48) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11152793 0.78 NPC1 (0.54) LMNACYP1A2CYP2C19CYP3A4RAB9A
SCHEMBL4512266 0.77 NPC1 (0.45) LMNACYP1A2CYP3A4CYP2D6RAB9A
SCHEMBL24086123 0.76 CYP1A2 (0.51) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL5351987 0.75 CYP1A2 (0.61) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL14484796 0.75 CYP1A2 (0.60) LMNACYP1A2CYP2C19RAB9AGAA
SCHEMBL2055225 0.75 APP (0.79) APPGLAGAA
SCHEMBL9037879 0.74 NPC1 (0.53) LMNACYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL21566144 0.73 APP (0.72) APPGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 EP disclosed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 WO disclosed