SCHEMBL25948367

SCHEMBL25948367

COC(=O)c1cc2cc(Oc3ccc(Cl)cc3)c(Br)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.58
CDK8 P49336 11/20 0.58
PTPN2 P17706 1/20 0.46
ICAM1 P05362 6/20 0.44
SELE P16581 6/20 0.44
VCAM1 P19320 5/20 0.44
STING1 Q86WV6 2/20 0.43
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL25948368 0.89 CCNC (0.56) CCNCCDK8PTPN2ICAM1SELE
SCHEMBL25948366 0.88 PTPN2 (0.46) CCNCCDK8PTPN2ICAM1SELE
SCHEMBL29636388 0.81 STING1 (0.61) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL20022239 0.81 STING1 (0.61) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL25948371 0.78 CDK8 (0.37) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL16396073 0.78 STING1 (0.56) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL364231 0.76 USP2 (0.49) CCNCCDK8
SCHEMBL20563177 0.75 STING1 (0.61) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL20338887 0.75 PTPN2 (0.53) PTPN2STING1HDAC1HDAC3HDAC4
SCHEMBL1397715 0.75 HDAC1 (0.56) CCNCCDK8PTPN2CLK1CLK2

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed