SCHEMBL9849593

SCHEMBL9849593

COC(=O)NC(=O)c1ccc(SC)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 8/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
AGER Q15109 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MITF O75030 2/20 0.44
LMNA P02545 1/20 0.44
NLRP3 Q96P20 1/20 0.44
MAPK1 P28482 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
SCHEMBL11679738 0.78 SMN1; SMN2 (0.51) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL29844261 0.76 MCL1 (0.48) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL1799259 0.75 ALDH1A1 (0.45) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22514066 0.74 MCL1 (0.47) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL1017987 0.74 MCL1 (0.61) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL9102881 0.73 HPGD (0.48) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL8579443 0.72 NPC1 (0.44) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL1796296 0.72 LMNA (0.41) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9790177 0.71 CA12 (0.50) L3MBTL1KMT2ASMN1; SMN2GAANPC1
SCHEMBL2257900 0.70 ALDH1A1 (0.45) L3MBTL1KMT2ASMN1; SMN2GAANPC1

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
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed