SCHEMBL24937330

SCHEMBL24937330

COC(=O)c1cc(F)cn1Cc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.54
USP2 O75604 1/20 0.54
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
HSP90AA1 P07900 2/20 0.40
HSP90B1 P14625 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL28187100 0.86 MAPT (0.48) USP2MAPTTP53L3MBTL1GAA
SCHEMBL25392854 0.86 USP2 (0.40) MAPK10USP2CYP11B1CYP11B2MAPT
SCHEMBL28673167 0.85 USP2 (0.55) MAPK10USP2CYP11B1CYP11B2CCNC
SCHEMBL24936716 0.83 CCNC (0.49) MAPK10USP2CCNCCDK8HDAC3
SCHEMBL24435291 0.82 MAPK10 (0.52) MAPK10USP2CYP11B1CYP11B2CCNC
SCHEMBL16116241 0.78 CCNC (0.71) MAPK10USP2CYP11B1CYP11B2CCNC
SCHEMBL28683880 0.76 CYP11B1 (0.70) MAPK10USP2CYP11B1CYP11B2HDAC3
SCHEMBL25395065 0.76 USP2 (0.51) MAPK10USP2CYP11B1CYP11B2HDAC3
SCHEMBL25374599 0.76 USP2 (0.41) MAPK10USP2CYP11B1CYP11B2MAPT
SCHEMBL25373841 0.74 LOXL2 (0.39) MAPK10USP2CYP11B1CYP11B2MAPT

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-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed