SCHEMBL6009742

SCHEMBL6009742

O=[C]c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FTO Q9C0B1 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPN12 Q05209 1/20 0.39
BIRC5 O15392 2/20 0.37
PDE2A O00408 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
IL2 P60568 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL27609990 0.78 FTO (0.45) MEN1KMT2AFTOHTTSMN1; SMN2
SCHEMBL266467 0.77 PTPN1 (0.47) MEN1KMT2AFTOHTTSMN1; SMN2
SCHEMBL4030956 0.77 PTPN1 (0.50) MEN1KMT2AFTOHTTSMN1; SMN2
SCHEMBL30370342 0.75 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL3063301 0.75 MEN1 (0.54) MEN1KMT2AFTOHTTSMN1; SMN2
SCHEMBL4946316 0.75 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL2318440 0.74 CYP1A1 (0.42)
SCHEMBL13078465 0.74 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2PTPN1
SCHEMBL2056340 0.73 FTO (0.52) MEN1KMT2AFTOHTTSMN1; SMN2
SCHEMBL19785385 0.73 PDE2A (0.47) MEN1KMT2ABIRC5PDE2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed