SCHEMBL6180530

SCHEMBL6180530

CC(C)(NC(=O)O)c1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 3/20 0.46
TBXA2R P21731 2/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 2/20 0.42
TTR P02766 2/20 0.41
PPOX P50336 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALB P02768 1/20 0.39
THRB P10828 1/20 0.39
PDE7A Q13946 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6180524 1.00 TDP1 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5201504 0.89 TDP1 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6177342 0.83 L3MBTL1 (0.45) LMNATBXA2RMRGPRX4CYP1A2CYP2C9
SCHEMBL5202456 0.82 TDP1 (0.42) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5202463 0.82 TDP1 (0.42) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6177157 0.82 TDP1 (0.43) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5201500 0.78 LMNA (0.44) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5205573 0.78 LMNA (0.44) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6175334 0.77 PTGER4 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6175825 0.77 PTGER4 (0.47) TDP1LMNATBXA2RMEN1KMT2A

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
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