SCHEMBL9463562

SCHEMBL9463562

NC(=O)Nc1[c]cc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
PEPD P12955 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
KIF11 P52732 4/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL11259370 0.82 PKM (0.42) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL2994051 0.78 NPC1 (0.52) MAPTPEPDALDH1A1NPC1MEN1
SCHEMBL2995603 0.78 PEPD (0.35) MAPTPEPDALDH1A1NPC1MEN1
SCHEMBL3884988 0.78 ALDH1A1 (0.52) MAPTPEPDALDH1A1NPC1MEN1
SCHEMBL2993188 0.78 PEPD (0.35) MAPTPEPDALDH1A1NPC1MEN1
SCHEMBL3888992 0.74 MAPT (0.37) MAPTRAB9AALDH1A1MEN1LMNA
SCHEMBL2991244 0.74 KIF11 (0.51) RAB9ANPC1KMT2AKIF11
SCHEMBL2994541 0.72 EPHX2 (0.47) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL7063953 0.71 DDX3X (0.36) MAPTRAB9APEPDALDH1A1NPC1
SCHEMBL55828 0.69 GAA (0.42) MAPTPEPDALDH1A1NPC1MEN1

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-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed