SCHEMBL30438229

SCHEMBL30438229

CCOC(=O)c1c(F)ccc2nc(Cl)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ALOX15 P16050 2/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 3/20 0.39
PTGES O14684 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL25284472 1.00 SIRT2 (0.43) SIRT2SIRT1SIRT3ALOX15TP53
SCHEMBL13050630 0.80 KMT2A (0.39) SIRT2SIRT1SIRT3TSHRKMT2A
SCHEMBL1115901 0.77 MAPT (0.44) TP53TSHRKMT2AMEN1ALOX5
SCHEMBL3522910 0.76 PDE4D (0.42) TSHRKMT2AMEN1ALOX5PTGES
SCHEMBL11947892 0.74 CACNA1G (0.44) SIRT2SIRT1MDM2TSHRKMT2A
SCHEMBL25292403 0.73 ALDH1A1 (0.42) SIRT2SIRT1SIRT3TSHRKMT2A
SCHEMBL31048564 0.73 ALDH1A1 (0.42) SIRT2SIRT1SIRT3TSHRKMT2A
SCHEMBL12583956 0.72 CA12 (0.42) ALOX15TP53TSHRKMT2AMEN1
SCHEMBL25250016 0.71 ALDH1A1 (0.45) ALOX15TSHRKMT2AMEN1ALOX5
SCHEMBL27419466 0.71 TSHR (0.46) TP53TSHRKMT2AMEN1L3MBTL1

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-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed