SCHEMBL17164147

SCHEMBL17164147

O=[N+]([O-])c1ccc(CCN(CC(O)c2ccccc2)C[C@H](O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 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
SCHEMBL17177095 1.00 KCNH2 (0.49) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL19245593 0.92 CA12 (0.47) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL19212464 0.92 CA12 (0.47) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL6621881 0.92 CA12 (0.47) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL19245780 0.92 CA12 (0.47) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL16609244 0.90 TSHR (0.47) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL17164079 0.88 CDC25C (0.43) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL6618592 0.86 MEN1 (0.48) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL6618598 0.86 MEN1 (0.48) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL31362021 0.85 MEN1 (0.46) KCNH2MEN1KMT2AALDH1A1TSHR

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
WO-2015155664-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 2-(2-AMINOTHIAZOL-4-YL)-N-[4-(2-[[(2R)-2-HYDROXY-2- PHENYLETHYL]AMINO]-ETHYL)PHENYL]ACETAMIDE SUVEN LIFE SCIENCES LIMITED (IN) 2015-10-15 WO disclosed