SCHEMBL9867091

SCHEMBL9867091

NNC(=O)C(=O)NC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.73
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
MAPT P10636 3/20 0.73
MAPK1 P28482 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
EPHX1 P07099 5/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
EPHX2 P34913 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 2/20 0.46
MMP2 P08253 4/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45

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
SCHEMBL9866491 0.98 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AMAPTMAPK1
Hydrochloric Acid SCHEMBL28051161 0.96 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9867405 0.95 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL4427177 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6850969 0.87 SMN1; SMN2 (0.94) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL23736058 0.85 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL8165938 0.85 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3076504 0.85 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL2377367 0.85 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9868982 0.80 EPHX1 (0.52) SMN1; SMN2NPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
EP-0126326-B1 PROCESS FOR PREPARING 1,2,4-TRIAZOLE-3-CARBOXAMIDES UBE INDUSTRIES, LTD. (JP) 1987-08-05 EP disclosed
US-4578479-A Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1986-03-25 US disclosed
EP-0126326-A1 Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1984-11-28 EP disclosed