SCHEMBL16182575

SCHEMBL16182575

COC(=O)N/N=C/c1ccc(C(=O)OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.80
MIF P14174 1/20 0.71
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 2/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55

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
SCHEMBL2644908 0.88 CYP1A2 (0.71) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2644905 0.88 CYP1A2 (0.71) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15672277 0.86 MIF (0.72) LMNAMIFKDM4ESMN1; SMN2NPC1
SCHEMBL22922223 0.85 KDM4E (0.62) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15672285 0.81 KDM4E (0.73) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15672276 0.81 LMNA (0.82) LMNAMIFKDM4ESMN1; SMN2NPC1
SCHEMBL738324 0.79 RAB9A (0.70) KDM4ESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2599799 0.79 RAB9A (0.70) KDM4ESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1862570 0.79 RAB9A (0.70) KDM4ESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL22925022 0.79 LMNA (0.77) LMNAMIFSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140311381-A1 Cellulose Acylate Film SK INNOVATION CO., LTD. (KR) 2014-10-23 US disclosed