SCHEMBL8473383

SCHEMBL8473383

Oc1ccc(-c2cccc3sc4c(Br)cccc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTPN1 P18031 3/20 0.38
HSP90AA1 P07900 2/20 0.37
APP P05067 2/20 0.37
LIMK1 P53667 1/20 0.36
ESR2 Q92731 4/20 0.36
ESR1 P03372 3/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL31435014 0.86 LIMK1 (0.48) ALOX5PTPN1LIMK1ALDH1A1MAPT
SCHEMBL25893684 0.85 LIMK1 (0.36) ALOX5PTPN1LIMK1CDK4CCND1
SCHEMBL8473965 0.84 PTPN1 (0.52) ALOX5PTPN1HSP90AA1LIMK1MEN1
SCHEMBL8471846 0.81 HSP90AA1 (0.47) ALOX5PTPN1HSP90AA1APPESR2
Iodide SCHEMBL29405457 0.80 HSP90AA1 (0.46) ALOX5PTPN1HSP90AA1APPESR2
SCHEMBL18820389 0.77 APP (0.42) ALOX5PTPN1APPESR2ESR1
SCHEMBL31006414 0.77 APP (0.42) ALOX5PTPN1APPESR2ESR1
SCHEMBL27741810 0.75 ABL1 (0.45) PTPN1ESR2ESR1CDK4CCND1
SCHEMBL5380464 0.74 ALOX5 (0.69) ALOX5PTPN1HSP90AA1APPESR2
Phenol SCHEMBL31695403 0.73 F9 (0.44) ALOX5PTPN1HSP90AA1APPLIMK1

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
US-6001867-A HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-14 US disclosed