SCHEMBL30471306

SCHEMBL30471306

N#CCC(=O)c1ccc(NC(=O)OCc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.50
CXCR2 P25025 1/20 0.46
POLB P06746 1/20 0.45
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DEGS1 O15121 1/20 0.41
CTSB P07858 2/20 0.41
GRIN2B Q13224 1/20 0.41
CTSK P43235 1/20 0.41
ROCK2 O75116 1/20 0.41
HCAR3 P49019 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL16755148 0.84 GCK (0.50) GCKCXCR2POLBMEN1KMT2A
SCHEMBL7095081 0.82 GCK (0.52) GCKCXCR2POLBNPC1RAB9A
SCHEMBL29018632 0.80 HCAR3 (0.44) GCKRAB9ADEGS1HCAR3
SCHEMBL5143604 0.79 DEGS1 (0.65) GCKPOLBNPC1RAB9ADEGS1
SCHEMBL7090892 0.76 POLB (0.52) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL22607251 0.76 RAB9A (0.59) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL23608334 0.75 POLB (0.51) GCKPOLBNPC1RAB9ADEGS1
SCHEMBL31307412 0.75 POLB (0.51) GCKPOLBNPC1RAB9ADEGS1
SCHEMBL24616597 0.75 SMN1; SMN2 (0.54) GCKPOLBKMT2ANPC1RAB9A
SCHEMBL18216846 0.73 TRPV1 (0.52) POLBMEN1KMT2ANPC1RAB9A

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-116283994-A Heterocyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2023-06-23 CN disclosed