SCHEMBL10896181

SCHEMBL10896181

O=C(O)Nc1nc2cc(S(=O)(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PKM P14618 2/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
LMNA P02545 3/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.44
SCD O00767 1/20 0.44
OPRK1 P41145 1/20 0.44
KLF5 Q13887 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL10627091 0.87 LMNA (0.56) SMN1; SMN2ALDH1A1MAPK1HSD17B10ADORA2A
SCHEMBL7046067 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1108964 0.80 TYMS (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL28209330 0.80 IRAK4 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL11524230 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL29006649 0.79 ABL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL204726 0.78 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL9860818 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10808699 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30166994 0.77 HTR6 (0.42) SMN1; SMN2ALDH1A1MAPK1HSD17B10LMNA

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-0202568-A1 Anthelmintic compositions SYNTEX (U.S.A.) INC. (US) 1986-11-26 EP claimed