SCHEMBL7780359

SCHEMBL7780359

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NPC1 O15118 4/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ACP3 P15309 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
HSP90AA1 P07900 1/20 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
SCHEMBL7785688 0.94 CRHBP (0.44) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7785302 0.93 HTT (0.46) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL27533527 0.93 MEN1 (0.40) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7787532 0.93 MEN1 (0.40) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7789050 0.92 ALDH1A1 (0.40) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7780324 0.91 CRHBP (0.47) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7787508 0.91 AKR1C3 (0.45) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7784889 0.91 AKR1C3 (0.45) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7780373 0.90 LMNA (0.48) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7780405 0.90 LMNA (0.48) MAPTSMN1; SMN2MEN1KMT2AL3MBTL1

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