SCHEMBL7785144

SCHEMBL7785144

C[C@@H](NC(c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL7784889 0.94 AKR1C3 (0.45) AKR1C3AKR1C2CRHBPCRHR2ACP3
SCHEMBL7787508 0.94 AKR1C3 (0.45) AKR1C3AKR1C2CRHBPCRHR2ACP3
SCHEMBL7785715 0.93 AKR1C3 (0.44) AKR1C3AKR1C2CRHBPCRHR2ALDH1A1
SCHEMBL7787587 0.93 HTT (0.46) AKR1C3AKR1C2CRHBPCRHR2ALDH1A1
SCHEMBL7787593 0.93 HTT (0.46) AKR1C3AKR1C2CRHBPCRHR2ALDH1A1
SCHEMBL7785099 0.91 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL7785021 0.90 AKR1C3 (0.42) AKR1C3AKR1C2CRHBPCRHR2KMT2A
SCHEMBL7787701 0.90 MAPK1 (0.45) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL7787867 0.90 MAPK1 (0.45) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL7780352 0.90 MAPK1 (0.45) AKR1C3AKR1C2ALDH1A1KMT2AMEN1

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