SCHEMBL6203056

SCHEMBL6203056

O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.72
ALPL P05186 1/20 0.70
ALPG P10696 1/20 0.70
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
MAPT P10636 6/20 0.66
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA13 Q8N1Q1 1/20 0.65
HTT P42858 2/20 0.65
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 4/20 0.65
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
HSD17B10 Q99714 2/20 0.63
ALOX15 P16050 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL6201044 0.87 GCGR (0.70) GCGRALPLALPGKMT2AMEN1
SCHEMBL2649217 0.82 GCGR (1.00) GCGRALPLALPGKMT2AMEN1
SCHEMBL30661861 0.82 GCGR (1.00) GCGRALPLALPGKMT2AMEN1
SCHEMBL9261397 0.82 MAPT (0.66) GCGRALPLALPGKMT2AMEN1
SCHEMBL12487210 0.81 MPO (0.78) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL14304382 0.80 KMT2A (0.79) GCGRALPLALPGKMT2AMEN1
SCHEMBL19426960 0.80 MAPT (0.66) GCGRALPLALPGKMT2AMEN1
SCHEMBL18425075 0.80 CA1 (1.00) GCGRALPLALPGCA1CA2
SCHEMBL12027526 0.80 ALDH1A1 (0.79) GCGRKMT2AMEN1MAPTALDH1A1
SCHEMBL675037 0.80 GCGR (0.62) GCGRALPLALPGKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed