SCHEMBL7989863

SCHEMBL7989863

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(Br)cc1)[C@@H](COCc1ccccc1F)OCc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
MAOB P27338 3/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.35
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
CDC25B P30305 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SCN9A Q15858 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL7987648 0.90 HSP90AA1 (0.39) IDO1MAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL7989824 0.90 ALDH1A1 (0.39) IDO1MAOBALDH1A1MEN1KMT2A
SCHEMBL7989289 0.89 CA1 (0.42) IDO1MAOBALDH1A1MEN1KMT2A
SCHEMBL7989311 0.88 CA1 (0.44) IDO1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7987303 0.87 HSP90AA1 (0.43) IDO1MAOBALDH1A1SMN1; SMN2PTPN1
SCHEMBL7986153 0.87 LMNA (0.39) IDO1MAOBALDH1A1HPGDPTPN1
SCHEMBL7447822 0.86 HSP90AA1 (0.44) IDO1MAOBMEN1KMT2AMAPK1
SCHEMBL7986279 0.85 CA1 (0.45) MAOBALDH1A1SMN1; SMN2PTPN1PTPN2
SCHEMBL7975758 0.84 MAOB (0.48) MAOBSMN1; SMN2PTPN1LMNASCN9A
SCHEMBL7976011 0.84 CA1 (0.45) IDO1MEN1KMT2AMAPK1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed