SCHEMBL30132679

SCHEMBL30132679

CN(C)c1ccc(NC(=O)c2ncccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 6/20 0.57
LMNA P02545 5/20 0.57
MCL1 Q07820 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.57
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 4/20 0.51
HIF1A Q16665 1/20 0.51
TP53 P04637 5/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
GRM4 Q14833 1/20 0.48
GRM1 Q13255 2/20 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
SCHEMBL1499654 0.81 HTT (0.63) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL445048 0.80 NPC1 (0.72) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5233340 0.78 KCNK3 (0.55) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL16761992 0.78 TRPV1 (0.67) MAPTRAB9ANPC1TRPV1
SCHEMBL31267944 0.78 MAPT (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL17142822 0.77 MAPT (0.45) MAPTALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL31078069 0.75 RORC (0.64) MAPTSMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL1507135 0.74 ALDH1A1 (0.45) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL17148240 0.74 MAPT (0.68) MAPTALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL13699335 0.73 MAPT (0.63) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed