SCHEMBL11628829

SCHEMBL11628829

O=C(Cl)CNc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.44
MEN1 O00255 14/20 0.44
KMT2A Q03164 14/20 0.44
MAPT P10636 11/20 0.44
HSD17B10 Q99714 10/20 0.44
ALOX15 P16050 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HTT P42858 5/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 3/20 0.41
TP53 P04637 5/20 0.41
NPC1 O15118 5/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL27360003 0.82 GAA (0.45) GAAMEN1KMT2AMAPTHSD17B10
SCHEMBL197214 0.82 GAA (0.45) GAAMEN1KMT2AMAPTHSD17B10
Hydrochloric Acid SCHEMBL4629898 0.82 GAA (0.45) GAAMEN1KMT2AMAPTHSD17B10
SCHEMBL1839853 0.81 GAA (0.44) GAAMEN1KMT2AMAPTHSD17B10
SCHEMBL9382432 0.81 POLB (0.44) GAAMEN1KMT2AMAPTHSD17B10
Hydrochloric Acid SCHEMBL2746299 0.80 GAA (0.43) GAAMEN1KMT2AMAPTHSD17B10
Thiophene SCHEMBL10901363 0.77 GAA (0.41) GAAMEN1KMT2AMAPTHSD17B10
SCHEMBL8076055 0.77 GAA (0.41) GAAMEN1KMT2AMAPTHSD17B10
Formamide SCHEMBL11498345 0.77 GAA (0.41) GAAMEN1KMT2AMAPTHSD17B10
SCHEMBL7850183 0.75 ABAT (0.44) GAAMEN1KMT2AMAPTHSD17B10

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-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed