SCHEMBL765016

SCHEMBL765016

CNC(=O)c1ccoc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL758569 0.84 MAOB (0.41) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL755566 0.84 L3MBTL1 (0.38) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL752322 0.83 TP53 (0.47) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL765461 0.78 MAPT (0.51) POLBHSD17B10KMT2ACYP2C19CYP1A2
SCHEMBL12206952 0.76 RAB9A (0.38) POLBSMN1; SMN2HSD17B10TP53KMT2A
SCHEMBL16921547 0.75 CA12 (0.38) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL752081 0.75 CA12 (0.38) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL14562423 0.75 RAB9A (0.45) POLBL3MBTL1GAAKMT2ALMNA
SCHEMBL4675011 0.74 TP53 (0.35) POLBSMN1; SMN2HSD17B10L3MBTL1TP53
SCHEMBL4675005 0.74 TP53 (0.35) POLBSMN1; SMN2HSD17B10L3MBTL1TP53

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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed