SCHEMBL29487180

SCHEMBL29487180

Clc1ccnc2ccoc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.34
SOS2 Q07890 1/20 0.34
CASP6 P55212 1/20 0.33
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DAO P14920 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL2798723 1.00 NR4A2 (0.34) NR4A2SOS2CASP6AXLPRKCI
SCHEMBL30504301 0.77 NCF1 (0.43) NR4A2SOS2MEN1MAPTKMT2A
SCHEMBL13262134 0.77 NCF1 (0.43) NR4A2SOS2MEN1MAPTKMT2A
SCHEMBL6265023 0.73 IRAK4 (0.30) KDM4EMAPK1IRAK4
SCHEMBL29446635 0.73 IRAK4 (0.30) KDM4EMAPK1IRAK4
SCHEMBL13454732 0.73 CCR1 (0.38) ALDH1A1CYP1A2HPGDHSD17B10KDM4E
SCHEMBL15339587 0.73 PRKCI (0.32) PRKCIDAOIRAK4
SCHEMBL1369046 0.73 PDE4A (0.43) AXLALDH1A1KMT2AIRAK4
SCHEMBL25806266 0.71 PIK3CD (0.32) NR4A2SOS2
SCHEMBL10280662 0.68 LOXL2 (0.33) CYP1A2CYP2C9CYP2C19IRAK4

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
CN-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
CN-114206883-A Oxopyridine fused ring derivative and pharmaceutical composition comprising the same 伟迈可生物有限公司 2022-03-18 CN disclosed