SCHEMBL9015529

SCHEMBL9015529

CCN(CC)C(=O)n1cnc(SCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.46
ALOX15B O15296 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL16143757 0.88 USP2 (0.40) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL5376216 0.88 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL9851995 0.87 L3MBTL1 (0.50) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10518597 0.84 L3MBTL1 (0.42) RAB9AHPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL11035938 0.83 MAPT (0.54) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL10509749 0.79 NPC1 (0.35) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7660067 0.78 LMNA (0.37) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9015526 0.76 MAPT (0.33) RAB9AHPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9851959 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9378936 0.75 LMNA (0.36) HPGDSMN1; SMN2TSHRALDH1A1L3MBTL1

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-5510320-A EXCELLENT CONTROL OF BLACKGRASS AND WILD OATS AND OTHER WEEDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-23 US disclosed
EP-0610314-A1 HERBICIDAL TRIAZOLECARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-08-17 EP disclosed
WO-1993021164-A1 HERBICIDAL TRIAZOLESULFONATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-28 WO disclosed