SCHEMBL28375772

SCHEMBL28375772

Clc1cc2nccc(Cl)c2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.33
LMNA P02545 1/20 0.33
NR4A2 P43354 3/20 0.32
SOS2 Q07890 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
AXL P30530 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PRKCI P41743 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL29560019 0.80 GRIN3B (0.41) LMNANR4A2SOS2
SCHEMBL22866830 0.80 GRIN3B (0.41) LMNANR4A2SOS2
SCHEMBL31745008 0.80 NR4A2 (0.46) LMNANR4A2SOS2CASP6
SCHEMBL29767078 0.80 FLT1 (0.33) PSMB8NR4A2SOS2CASP6
SCHEMBL2209771 0.80 KIT (0.35) PSMB8NR4A2SOS2KMT2ATDP1
SCHEMBL29544829 0.80 MAP3K8 (0.36) PSMB8LMNANR4A2SOS2CASP6
SCHEMBL13185442 0.80 PSMB8 (0.32) PSMB8NR4A2SOS2CASP6
SCHEMBL108770 0.80 MAP3K8 (0.36) PSMB8LMNANR4A2SOS2CASP6
SCHEMBL105732 0.80 FLT1 (0.33) PSMB8NR4A2SOS2CASP6
SCHEMBL29808576 0.80 KIT (0.35) PSMB8NR4A2SOS2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108659000-B Heterocyclic compounds and process for preparing the same 成都海创药业有限公司 2020-03-31 CN disclosed