SCHEMBL7876190

SCHEMBL7876190

O=C(O)c1ccc(/C=C2/Sc3ccccc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
POLB P06746 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
TYR P14679 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
HCRTR1 O43613 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL7876191 1.00 MAPT (0.64) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13297246 0.87 MAPT (0.55) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL26277062 0.86 MAPT (0.69) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3134644 0.86 MAPT (0.69) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3134637 0.86 MAPT (0.69) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12692428 0.83 TYR (0.65) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL26168410 0.80 MAPT (0.58) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12692508 0.80 MAPT (0.64) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12204420 0.80 MAPT (0.60) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL14139632 0.80 MAPT (0.60) MAPTMEN1KMT2APOLBSMN1; 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
US-6316492-B1 THERAPY OF INFECTION ONE VIRUS OF THE FLAVIVIRIDAE FAMILY AND DISEASE ASSOCIATED WITH SAID INFECTION BY ADMINISTERING ANTIVIRAL COMPOUND VIROPHARMA INCORPORATED 2001-11-13 US disclosed