SCHEMBL30419303

SCHEMBL30419303

CC(C)c1ncc(-c2nc3ccccc3o2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ TP53 P04637 8/20 0.47
▸ USP2 O75604 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL25186762 1.00 RAB9A (0.48) RAB9ATP53USP2KDM4EPOLB
SCHEMBL25520075 0.75 NPC1 (0.48) RAB9ATP53USP2KDM4EPOLB
SCHEMBL1716208 0.73 MAPT (0.44) RAB9ATP53USP2KDM4EPOLB
SCHEMBL31164537 0.73 NPC1 (0.51) RAB9ATP53USP2KDM4EPOLB
SCHEMBL25186877 0.73 NPC1 (0.51) RAB9ATP53USP2KDM4EPOLB
SCHEMBL25186768 0.72 TRPV1 (0.42) RAB9AMAPK1
SCHEMBL13419391 0.71 APP (0.54) RAB9ATP53USP2KDM4EPOLB
SCHEMBL25189635 0.69 AAK1 (0.37) POLB
SCHEMBL25186778 0.69 LCK (0.39) POLB
SCHEMBL13419385 0.69 APP (0.67) RAB9ATP53USP2KDM4EPOLB

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
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 — — EP disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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