SCHEMBL5205112

SCHEMBL5205112

C[C@H](NC(=O)OC(C)(C)C)c1cccc(Oc2cc(Cl)ccc2NCCCC(=O)NCc2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX4 Q99571 1/20 0.37
AHCY P23526 1/20 0.36
S1PR3 Q99500 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
FOLH1 Q04609 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL5203560 0.87 ALDH1A1 (0.45) P2RX4AHCYALDH1A1LMNAHTT
SCHEMBL5202385 0.82 MEN1 (0.41) MEN1KMT2ACTSKALDH1A1LMNA
SCHEMBL5208051 0.82 MEN1 (0.41) MEN1KMT2ACTSKALDH1A1LMNA
SCHEMBL5208884 0.77 KDM4E (0.41) MEN1KMT2AP2RX4AHCYALDH1A1
SCHEMBL5206639 0.73 KDM4E (0.36) MEN1KMT2AAHCYKDM4ECNR1
SCHEMBL5202191 0.72 PPARG (0.42) ALDH1A1HTTSMN1; SMN2
SCHEMBL5202185 0.71 NR4A2 (0.39) MEN1KMT2AP2RX4ALDH1A1LMNA
SCHEMBL5205312 0.69 PPARG (0.40) ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL13125679 0.69 MEN1 (0.46) MEN1KMT2AP2RX4CTSSCTSK
SCHEMBL5202903 0.67 PPARG (0.40) ALDH1A1HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed