SCHEMBL7784889

SCHEMBL7784889

C[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ACP3 P15309 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL7787508 1.00 AKR1C3 (0.45) AKR1C3AKR1C2MAPTGAAKMT2A
SCHEMBL7785144 0.94 AKR1C3 (0.48) AKR1C3AKR1C2GAAKMT2AMEN1
SCHEMBL7785715 0.92 AKR1C3 (0.44) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL7787587 0.92 HTT (0.46) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL7787593 0.92 HTT (0.46) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL7780309 0.91 AKR1C3 (0.42) AKR1C3AKR1C2MAPTGAAKMT2A
SCHEMBL7785122 0.91 AKR1C3 (0.42) AKR1C3AKR1C2MAPTGAAKMT2A
SCHEMBL7780359 0.91 MAPT (0.41) AKR1C3AKR1C2MAPTGAAKMT2A
SCHEMBL7785099 0.90 AKR1C3 (0.43) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL7780324 0.89 CRHBP (0.47) AKR1C3AKR1C2MAPTGAAKMT2A

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed