SCHEMBL29897982

SCHEMBL29897982

Brc1cccc2c1CCS2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NPC1 O15118 1/20 0.33
GID4 Q8IVV7 1/20 0.33
GSK3B P49841 1/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12670565 1.00 HPGD (0.36) HPGDNPSR1PARP10PARP11PIM1
SCHEMBL28939599 0.86 HPGD (0.35) HPGDNPSR1PARP10PARP11PIM1
SCHEMBL10906067 0.77
SCHEMBL24460333 0.75 RYR2 (0.53) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL14451090 0.74 HPGD (0.36) HPGDNPSR1PARP10PARP11MEN1
SCHEMBL17080822 0.74 ADRA2A (0.37) HPGDNPSR1NPC1MEN1ALDH1A1
SCHEMBL10817355 0.74 CD44 (0.37) HPGDNPSR1GID4MEN1ALDH1A1
SCHEMBL31103410 0.74 BCL2L1 (0.42) HPGDNPSR1NPC1GSK3BALDH1A1
SCHEMBL31424250 0.74 HPGD (0.36) HPGDNPSR1MEN1ALDH1A1GAA
SCHEMBL2679622 0.74 BCL2L1 (0.42) HPGDNPSR1NPC1GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119384413-A Anilino-pyrazole derivatives, compositions and methods thereof 昂胜医药有限公司 2025-01-28 CN disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
CN-115232111-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 CN disclosed