SCHEMBL29129138

SCHEMBL29129138

CC(=O)ONCc1cc(C#N)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.38
SETDB1 Q15047 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 2/20 0.35
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
GRM4 Q14833 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL8271989 0.78 MBOAT4 (0.39) VNN1MAPTALDH1A1MBOAT4HCRTR2
SCHEMBL25087065 0.77 LOXL2 (0.46) VNN1ALDH1A1MBOAT4
SCHEMBL16517596 0.77 VNN1 (0.41) VNN1SETDB1ALDH1A1MBOAT4NPC1
SCHEMBL25880492 0.75 ADORA2A (0.42) VNN1SETDB1MBOAT4GRM4ADORA2A
SCHEMBL16534321 0.75 CCNC (0.41) ACACB
SCHEMBL24510177 0.74 KDM5B (0.40) VNN1
SCHEMBL2312450 0.73 SMN1; SMN2 (0.57) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL8526229 0.73 LOXL2 (0.55) VNN1MAPTALDH1A1RAB9AKMT2A
SCHEMBL481078 0.70 NOTUM (0.43) VNN1MAPTMBOAT4GRM4
SCHEMBL7666624 0.70 MBOAT4 (0.40) VNN1MAPTMBOAT4GRM4GRM5

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed