SCHEMBL3947142

SCHEMBL3947142

O=C1NC(CCc2ccccc2Cl)=C(C(=O)OCc2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL3950394 0.96 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL13942605 0.93 TSHR (0.52) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL13942611 0.93 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3943138 0.92 RXFP1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL13942609 0.91 PKM (0.52) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL13942363 0.90 ADORA2B (0.55) MEN1KMT2A
SCHEMBL3942576 0.89 PKM (0.52) PKM
SCHEMBL3944408 0.86 TSHR (0.49) TP53TSHRPKM
SCHEMBL3944871 0.86 HTT (0.44) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3944971 0.86 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1TDP1

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