SCHEMBL25948368

SCHEMBL25948368

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.56
CDK8 P49336 10/20 0.56
PTPN2 P17706 2/20 0.45
ICAM1 P05362 5/20 0.44
SELE P16581 5/20 0.44
VCAM1 P19320 4/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
GPR35 Q9HC97 1/20 0.43
STING1 Q86WV6 3/20 0.43
MAP3K8 P41279 2/20 0.42
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL25948367 0.89 CCNC (0.58) CCNCCDK8PTPN2ICAM1SELE
SCHEMBL25948371 0.79 CDK8 (0.37) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL25948366 0.77 PTPN2 (0.46) CCNCCDK8PTPN2ICAM1SELE
SCHEMBL20022241 0.76 STING1 (0.66) PTPN2GPR35STING1
SCHEMBL28803829 0.74 STING1 (0.62) PTPN2GPR35STING1BCL2L1
SCHEMBL25948374 0.74 CDK8 (0.45) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL365991 0.74 MRGPRX4 (0.51)
SCHEMBL28860024 0.73 PTPN2 (0.52) PTPN2GPR35STING1BCL2L1
SCHEMBL25948369 0.72 KDM4E (0.38) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7053321 0.72 CDK8 (0.66) CCNCCDK8ICAM1SELEVCAM1

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