SCHEMBL3950394

SCHEMBL3950394

O=C1NC(CCc2ccccc2Cl)=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 2/20 0.52
GPBAR1 Q8TDU6 1/20 0.51
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3947142 0.96 MEN1 (0.53) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL13942605 0.93 TSHR (0.52) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL3943138 0.92 RXFP1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL13942611 0.91 MEN1 (0.51) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL3951160 0.88 MEN1 (0.64) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL13942363 0.88 ADORA2B (0.55) MEN1KMT2ASMN1; SMN2
SCHEMBL13942609 0.87 PKM (0.52) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL3944971 0.86 MEN1 (0.48) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL3942576 0.85 PKM (0.52) PKM
SCHEMBL3943539 0.85 GAA (0.54) MEN1KMT2ATP53TSHRPKM

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed