SCHEMBL4742483

SCHEMBL4742483

NC(=O)c1ccc(OCCCBr)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.45
THRA P10827 1/20 0.45
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4689627 0.86 THRB (0.46) THRBTHRAKMT2AKDM4EALDH1A1
SCHEMBL4687865 0.84 SMN1; SMN2 (0.44) THRBTHRAKMT2AKDM4EALDH1A1
SCHEMBL4689621 0.83 PARP1 (0.46) THRBTHRAKMT2AKDM4EALDH1A1
SCHEMBL13617723 0.82 THRB (0.65) THRBTHRAKMT2ALMNA
SCHEMBL1786513 0.80 SIRT2 (0.42) KDM4EALDH1A1LMNASMN1; SMN2SIRT2
SCHEMBL1180075 0.77 KDM4E (0.62) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6808017 0.76 ESR1 (0.48) THRBTHRAKMT2AKDM4EALDH1A1
SCHEMBL9198133 0.76 SIRT2 (0.51) THRBTHRAKMT2AKDM4EALDH1A1
SCHEMBL25597478 0.76 PARP1 (0.47) KMT2AKDM4EALDH1A1LMNAPARP15
SCHEMBL30983963 0.75 TDP1 (0.46) KDM4EALDH1A1SMN1; SMN2

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed