SCHEMBL17873258

SCHEMBL17873258

CC(C)(C)OC(=O)Nc1ccc(Br)c2c1COC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP17A1 P05093 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
PSMB8 P28062 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL31182208 1.00 AAK1 (0.40) AAK1GAANPC1RAB9AMEN1
SCHEMBL31478116 0.84 NPC1 (0.39) AAK1NPC1RAB9AMEN1HTT
SCHEMBL25909307 0.83 GAA (0.39) AAK1GAANFKB1NFKB2RELA
SCHEMBL28167978 0.83 GAA (0.39) AAK1GAANFKB1NFKB2RELA
SCHEMBL23334165 0.82 AAK1 (0.37) AAK1NPC1RAB9AMEN1HTT
SCHEMBL17873256 0.81 ATR (0.44) AAK1GAASMN1; SMN2NFKB1NFKB2
SCHEMBL17873261 0.78 RXFP1 (0.41) GAANPC1RAB9ARXFP1METAP1
SCHEMBL24822119 0.77 AAK1 (0.36) AAK1NPC1RAB9AMEN1HTT
SCHEMBL30050908 0.77 AAK1 (0.36) AAK1NPC1RAB9AMEN1HTT
SCHEMBL24819174 0.75 AAK1 (0.37) AAK1NPC1RAB9AMEN1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663626-A1 IMINE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF Bio Genuine (Shanghai) Biotech Co., Ltd (CN) 2025-12-17 EP disclosed
WO-2024165071-A1 IMINE COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海葆正医药科技有限公司 2024-08-15 WO disclosed
CN-107108596-B Oxazoline compounds substituted by fused ring systems 巴斯夫欧洲公司 2021-01-12 CN disclosed
EP-3237410-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2017-11-01 EP disclosed
WO-2016102482-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2016-06-30 WO disclosed