SCHEMBL7785688

SCHEMBL7785688

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7780359 0.94 MAPT (0.41) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7785576 0.93 CRHBP (0.44) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7785105 0.93 CRHBP (0.44) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7785302 0.92 HTT (0.46) CRHBPCRHR2ALDH1A1KMT2AMEN1
SCHEMBL7789050 0.91 ALDH1A1 (0.40) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7780324 0.90 CRHBP (0.47) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7780401 0.90 CRHBP (0.53) CRHBPCRHR2ACP3ALDH1A1KMT2A
SCHEMBL7780405 0.89 LMNA (0.48) ACP3ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7780373 0.89 LMNA (0.48) ACP3ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7785144 0.88 AKR1C3 (0.48) CRHBPCRHR2ACP3ALDH1A1KMT2A

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