SCHEMBL5201504

SCHEMBL5201504

CC(C)(C)C(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 4/20 0.45
TBXA2R P21731 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
MAPT P10636 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
F10 P00742 1/20 0.38
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.38
EPAS1 Q99814 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6180530 0.89 TDP1 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6180524 0.89 TDP1 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5206343 0.84 L3MBTL1 (0.43) TBXA2RMRGPRX4ALDH1A1CYP1A2CYP2C9
SCHEMBL5202463 0.82 TDP1 (0.42) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5202456 0.82 TDP1 (0.42) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6177157 0.80 TDP1 (0.43) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5201500 0.76 LMNA (0.44) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL5205573 0.76 LMNA (0.44) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6175334 0.76 PTGER4 (0.47) TDP1LMNATBXA2RMEN1KMT2A
SCHEMBL6175825 0.76 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 1 patent. 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