SCHEMBL7780324

SCHEMBL7780324

C[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 4/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL7780401 0.92 CRHBP (0.53) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL27533527 0.91 MEN1 (0.40) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL7780359 0.91 MAPT (0.41) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL7787532 0.91 MEN1 (0.40) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL7785576 0.90 CRHBP (0.44) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL7785105 0.90 CRHBP (0.44) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL7785688 0.90 CRHBP (0.44) CRHBPCRHR2KMT2AMEN1ACP3
SCHEMBL27530409 0.90 MAPK1 (0.47) KMT2AMEN1ACP3ALDH1A1HTT
SCHEMBL7785483 0.90 MAPK1 (0.47) KMT2AMEN1ACP3ALDH1A1HTT
SCHEMBL7785122 0.89 AKR1C3 (0.42) CRHBPCRHR2KMT2AMEN1ACP3

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