SCHEMBL2729253

SCHEMBL2729253

N[C@@H](Cc1cccc(NCCCl)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.57
▸ NOS1 P29475 3/20 0.57
▸ NOS2 P35228 3/20 0.57
▸ SLC7A5 Q01650 8/20 0.53
▸ PTGS1 P23219 3/20 0.53
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ GRIA2 P42262 1/20 0.51
▸ ALOX15 P16050 3/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL5025019 1.00 NOS3 (0.57) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL28655647 0.92 NOS3 (0.55) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL28655648 0.92 NOS3 (0.55) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL17142343 0.86 NOS3 (0.57) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL7279140 0.83 NOS3 (0.64) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL7279148 0.83 NOS3 (0.64) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL2778381 0.83 NOS3 (0.64) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL10419779 0.83 NOS3 (0.60) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL2778383 0.83 NOS3 (0.64) NOS3NOS1NOS2SLC7A5PTGS1
SCHEMBL2729020 0.82 HIF1A (0.56) SLC7A5PTGS1ALPIPKMXIAP

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
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 — — WO disclosed
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