SCHEMBL7787532

SCHEMBL7787532

C[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
ACP3 P15309 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL27533527 1.00 MEN1 (0.40) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7785576 0.94 CRHBP (0.44) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7785105 0.94 CRHBP (0.44) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL27540162 0.93 HTT (0.46) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7780592 0.93 HTT (0.46) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7780359 0.93 MAPT (0.41) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7784720 0.92 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7785724 0.92 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7780324 0.91 CRHBP (0.47) MEN1KMT2AL3MBTL1HPGDAKR1C3
SCHEMBL7785122 0.91 AKR1C3 (0.42) MEN1KMT2AL3MBTL1HPGDAKR1C3

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed