SCHEMBL19558152

SCHEMBL19558152

COC(=O)Nc1ccc(NC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL9609808 0.85 SMN1; SMN2 (0.82) SMN1; SMN2MAPTHPGDRAB9ANPC1
SCHEMBL23619661 0.80 SMN1; SMN2 (0.62) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL2054672 0.80 SMN1; SMN2 (0.62) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL17745117 0.79 L3MBTL1 (0.50) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL6987048 0.79 SMN1; SMN2 (0.61) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL7251623 0.79 SMN1; SMN2 (0.72) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL29791243 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL11266548 0.78 MAPT (0.56) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL13817781 0.78 L3MBTL1 (0.79) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A
SCHEMBL11564781 0.77 SMN1; SMN2 (0.58) SMN1; SMN2MAPTHPGDL3MBTL1RAB9A

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-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed