SCHEMBL9953733

SCHEMBL9953733

COC(=O)c1ccc(N=C=S)cc1.COC(=O)c1cccc(N=C=S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
MAPT P10636 3/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACR P10323 3/20 0.48
PRSS1 P07477 2/20 0.48
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HGFAC Q04756 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1421363 0.94 ALDH1A1 (0.48) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL29754225 0.94 ALDH1A1 (0.48) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL1421354 0.88 RAB9A (0.56) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL6070567 0.82 MAPT (0.58) RAB9AMAPTTSHRALDH1A1LOXL2
SCHEMBL40349 0.80 CYP4F2 (0.51) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL69664 0.80 RAB9A (0.62) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL69663 0.80 RAB9A (0.62) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL5558418 0.78 CYP4F2 (0.49) RAB9AMAPTTSHRCA1CA2
SCHEMBL3539591 0.78 SLC7A5 (0.45) MAPTTSHRCA1CA2ALDH1A1
SCHEMBL5556877 0.77 TP53 (0.49) RAB9AMAPTCASP3SENP8SENP7

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed