SCHEMBL24292802

SCHEMBL24292802

Cc1cccc(-c2cccc3sc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.40
SLC9A1 P19634 2/20 0.40
ALOX5 P09917 1/20 0.36
LIMK1 P53667 2/20 0.35
CHEK1 O14757 2/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL25128011 0.90 F9 (0.40) ENPP1SLC9A1ALOX5LIMK1CHEK1
SCHEMBL25648827 0.89 ACHE (0.36) ENPP1ALOX5CHEK1POLBMAPT
SCHEMBL23427420 0.87 F9 (0.38) SLC9A1ALOX5LIMK1CHEK1POLB
SCHEMBL23427627 0.86 F9 (0.34) SLC9A1ALOX5CHEK1ROCK1TSHR
SCHEMBL23427006 0.85 F9 (0.37) SLC9A1ALOX5LIMK1CHEK1POLB
SCHEMBL19001871 0.85 SLC9A1 (0.47) ENPP1SLC9A1ALOX5LIMK1CHEK1
SCHEMBL23746813 0.85 F9 (0.36) SLC9A1ALOX5LIMK1CHEK1ROCK1
SCHEMBL22293495 0.85 SLC9A1 (0.39) ENPP1SLC9A1ALOX5TSHRNPSR1
SCHEMBL25624621 0.85 ALOX5 (0.40) SLC9A1ALOX5LIMK1CHEK1POLB
SCHEMBL23427002 0.84 GPR3 (0.39) SLC9A1ALOX5CHEK1POLBMAPT

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
EP-3960744-A1 CYCLOALKANE-CONDENSED POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2022-03-02 EP disclosed