SCHEMBL6415501

SCHEMBL6415501

Cc1cc(O)c(C(=O)C=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c(=O)o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
USP2 O75604 2/20 0.52
POLB P06746 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
PPARG P37231 2/20 0.47
NR3C1 P04150 1/20 0.46
PKM P14618 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL6415498 1.00 MEN1 (0.52) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6416359 0.84 MEN1 (0.58) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6416365 0.84 MEN1 (0.58) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6415831 0.84 MEN1 (0.51) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6415828 0.84 MEN1 (0.51) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6415118 0.83 MEN1 (0.60) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6415113 0.83 MEN1 (0.60) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6423100 0.83 KDM4E (0.62) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6423093 0.83 KDM4E (0.62) MEN1KMT2AUSP2POLBRAB9A
SCHEMBL6416910 0.78 MEN1 (0.69) MEN1KMT2AUSP2POLBRAB9A

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-6861419-B2 Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-03-01 US disclosed