SCHEMBL5201500

SCHEMBL5201500

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TBXA2R P21731 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.38
PTGER4 P35408 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
ALPG P10696 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
SCHEMBL5205573 1.00 LMNA (0.44) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL6177071 0.85 PTGER4 (0.47) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL6175825 0.85 PTGER4 (0.47) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL6175334 0.85 PTGER4 (0.47) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL5206336 0.84 L3MBTL1 (0.41) LMNAMEN1KMT2APTGER4CYP1A2
SCHEMBL6180524 0.78 TDP1 (0.47) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL6180530 0.78 TDP1 (0.47) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL5205566 0.78 TDP1 (0.41) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL5201497 0.78 TDP1 (0.41) LMNAMAPTNPSR1ALDH1A1MEN1
SCHEMBL5201504 0.76 TDP1 (0.47) LMNAMAPTNPSR1ALDH1A1MEN1

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