SCHEMBL5257488

SCHEMBL5257488

O=C(O)C1c2ccccc2C(=NOCc2ccccc2)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR5 Q9H228 1/20 0.34
MAPT P10636 1/20 0.34
USP8 P40818 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR2 O15552 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 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
SCHEMBL5185364 0.89 FKBP1A (0.38) NPC1RAB9AMAPTSMN1; SMN2MMP1
SCHEMBL5185359 0.89 FKBP1A (0.38) NPC1RAB9AMAPTSMN1; SMN2MMP1
SCHEMBL4693507 0.83 MAPT (0.37) NPC1RAB9AS1PR5MAPTSMN1; SMN2
SCHEMBL5253050 0.82 NPC1 (0.35) NPC1RAB9AS1PR5SMN1; SMN2MMP1
SCHEMBL4695526 0.80 MEN1 (0.36) ACENPC1RAB9AFFAR2
SCHEMBL20557593 0.79 NPC1 (0.33) NPC1RAB9AS1PR5MAPTUSP8
SCHEMBL4692474 0.73 ESR1 (0.35) ACE
SCHEMBL5696945 0.73 PSEN1 (0.41) NPC1RAB9ASMN1; SMN2MMP1MMP3
SCHEMBL4144355 0.73 POLB (0.38) NPC1RAB9AS1PR5MAPTSMN1; SMN2
SCHEMBL5252852 0.72 ACE (0.43) ACEMAPTSMN1; SMN2

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
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed