SCHEMBL30845487

SCHEMBL30845487

Cc1cnc(Cl)cc1C(=O)CC(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.40
GRIN2B Q13224 1/20 0.33
MDM2 Q00987 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ACACB O00763 1/20 0.32
POLQ O75417 1/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21530467 1.00 ABL1 (0.40) ABL1GRIN2BMDM2KMT2ANPC1
SCHEMBL27334085 0.80 HSP90AB1 (0.37) RAB9ASMN1; SMN2POLQMAPTL3MBTL1
SCHEMBL30770791 0.80 HSP90AB1 (0.37) RAB9ASMN1; SMN2POLQMAPTL3MBTL1
SCHEMBL31599692 0.72 P2RX7 (0.44) RAB9ASMN1; SMN2POLQMAPTL3MBTL1
SCHEMBL20675726 0.71 KDM4E (0.37) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21306488 0.71 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2POLQTDP1
SCHEMBL30845500 0.71 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2POLQTDP1
SCHEMBL18068216 0.71 GABRP (0.47) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30964013 0.71 GABRP (0.47) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL25433576 0.71 L3MBTL1 (0.41) ABL1MAPTL3MBTL1

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-112312905-B Tetrazole-containing inhibitors of apoptosis signal-regulating kinase 1 and methods of use thereof 英安塔制药有限公司 2024-03-15 CN disclosed