SCHEMBL4747607

SCHEMBL4747607

O=C(Nc1cc[c]s1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
PTPN1 P18031 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2201397 0.71 HPGD (0.58) SMN1; SMN2ALOX15HSD17B10GAAKDM4E
SCHEMBL429187 0.70 PTPN1 (0.48) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL3559655 0.70 MEN1 (0.60) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL3156267 0.68 ALDH1A1 (0.50) NPC1RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL445135 0.68 PTPN1 (0.66) NPC1RAB9AMAPTSMN1; SMN2JAK2
SCHEMBL28482288 0.68 RNASEH1 (0.68) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL31110177 0.68 MAPT (1.00) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL6984067 0.68 RIPK1 (0.52) NPC1RAB9ATP53MAPTNFKB1
SCHEMBL24202631 0.68 SIRT1 (0.83) NPC1RAB9AMAPTSMN1; SMN2JAK2
N-Phenylbenzamide SCHEMBL31966 0.68 SIRT1 (0.83) NPC1RAB9AMAPTSMN1; SMN2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO claimed
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO disclosed