SCHEMBL8552521

SCHEMBL8552521

O=C(O)Nc1snc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
KDR P35968 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 2/20 0.43
LTA4H P09960 1/20 0.43
ACHE P22303 2/20 0.43
NR4A2 P43354 2/20 0.43
HDAC3 O15379 1/20 0.43
APP P05067 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8303707 0.78 SMPD1 (0.45) NPC1MEN1KMT2ACYP3A4RAB9A
SCHEMBL8546942 0.76 SMPD1 (0.46) NPC1CYP3A4MAPTRAB9ASMN1; SMN2
SCHEMBL7405256 0.72 PPARD (0.48) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15876017 0.71 NPC1 (0.56) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8304336 0.71 MAOB (0.51) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL8591838 0.71 ALDH1A1 (0.47) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL28021758 0.70 HDAC6 (0.58) NPC1MEN1KMT2ACYP3A4MAPT
SCHEMBL5795231 0.70 MAPT (0.46) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL26697665 0.70 MEN1 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4666205 0.70 RAB9A (0.74) NPC1MEN1KMT2ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835254-A1 OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE SYNTHELABO (FR) 1998-04-15 EP disclosed