SCHEMBL4727465

SCHEMBL4727465

O=[N+]([O-])c1ccsc1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
FBP1 P09467 1/20 0.46
CYP19A1 P11511 2/20 0.42
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDE7A Q13946 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAOB P27338 1/20 0.39
ESR2 Q92731 1/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38

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
(Z)-1,2-Diphenylethene SCHEMBL27365779 0.78 NFE2L2 (0.60) NFE2L2FBP1CYP19A1MAPTTAAR1
SCHEMBL11660719 0.76 PDE7A (0.39) MAPTMEN1KMT2APDE7APOLB
SCHEMBL4555909 0.74 ALDH5A1 (0.43) MAPTPDE7AMAPK1TDP1SMN1; SMN2
SCHEMBL14292160 0.73 NFE2L2 (0.47) NFE2L2FBP1CYP19A1MAPTTAAR1
SCHEMBL1578978 0.73 MAPT (0.66) NFE2L2FBP1CYP19A1MAPTMEN1
SCHEMBL5442818 0.73 MAPT (0.66) NFE2L2FBP1CYP19A1MAPTMEN1
SCHEMBL1578983 0.73 MAPT (0.66) NFE2L2FBP1CYP19A1MAPTMEN1
SCHEMBL27799509 0.73 PDE7A (0.38) MAPTMEN1KMT2APDE7APOLB
SCHEMBL29594574 0.73 MAPT (0.66) NFE2L2FBP1CYP19A1MAPTMEN1
SCHEMBL28081567 0.72 MAOB (0.42) NFE2L2CYP19A1MAPTMEN1KMT2A

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-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed