SCHEMBL6992440

SCHEMBL6992440

O=C(O)Nc1nnc(S)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLS O94925 1/20 0.35
CA12 O43570 1/20 0.34
CA11 O75493 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL11090182 0.81 CA1 (0.37) TP53SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8246439 0.81 SMN1; SMN2 (0.53) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12346979 0.78 TP53 (0.44) TP53SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL9360322 0.78 ALDH1A1 (0.39) TP53SMN1; SMN2GAANPC1RAB9A
SCHEMBL10404148 0.78 KDM4E (0.53) TP53SMN1; SMN2MAPTGAANPC1
SCHEMBL8626453 0.77 POLB (0.60) SMN1; SMN2MAPTALDH1A1TDP1POLB
SCHEMBL14582747 0.76 TP53 (0.43) TP53SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11516768 0.76 ALDH1A1 (0.38) TP53SMN1; SMN2GAANPC1RAB9A
SCHEMBL11559131 0.76 TP53 (0.66) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2664519 0.76 SMN1; SMN2 (0.67) TP53SMN1; SMN2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671892-A 7-aminocephalosporanic acid-containing 1,3, 4-thiadiazole derivative, and preparation method and application thereof 江苏海洋大学 2022-06-28 CN disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed