SCHEMBL7560982

SCHEMBL7560982

O=C(Cc1cccs1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
POLB P06746 6/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
BLM P54132 2/20 0.63
HPGD P15428 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA13 Q8N1Q1 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 1/20 0.59
RNF4 P78317 1/20 0.58
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL6651050 0.87 MEN1 (0.74) MEN1KMT2APOLBSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL29042444 0.85 MEN1 (0.72) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL10813692 0.81 POLB (0.75) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL10813685 0.81 POLB (0.75) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL5206520 0.80 MEN1 (0.69) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL23867550 0.80 POLB (0.76) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL6816361 0.80 POLB (0.73) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19944328 0.80 POLB (0.73) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL1372329 0.79 S1PR1 (0.64) POLBRAB9AHPGDMAPT
SCHEMBL1372971 0.79 S1PR1 (0.64) POLBRAB9AHPGDMAPT

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-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed