SCHEMBL5201497

SCHEMBL5201497

C[C@@H](c1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TBXA2R P21731 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
P2RX4 Q99571 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 1/20 0.36
JMJD7 P0C870 1/20 0.36
PTGER4 P35408 1/20 0.36
PPARG P37231 1/20 0.36
HTR6 P50406 1/20 0.36
EPAS1 Q99814 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36

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
SCHEMBL5205566 1.00 TDP1 (0.41) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL5206332 0.84 ALOX5 (0.44) MEN1KMT2AALOX5P2RX4PTGER4
SCHEMBL6175334 0.80 PTGER4 (0.47) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL6177071 0.80 PTGER4 (0.47) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL6175825 0.80 PTGER4 (0.47) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL3717712 0.79 ALOX5 (0.42) LMNAMAPTMEN1KMT2AALOX5
SCHEMBL5202463 0.78 TDP1 (0.42) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL5202456 0.78 TDP1 (0.42) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL5201500 0.78 LMNA (0.44) TDP1TBXA2RLMNAMAPTMEN1
SCHEMBL5205573 0.78 LMNA (0.44) TDP1TBXA2RLMNAMAPTMEN1

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