SCHEMBL9015526

SCHEMBL9015526

C#CCSc1ncn(C(=O)N(CC)CC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.31
PTGS2 P35354 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MGLL Q99685 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
F2 P00734 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL10509749 0.81 NPC1 (0.35) MAPTRAB9ALMNAHPGDSMN1; SMN2
SCHEMBL7660067 0.81 LMNA (0.37) MAPTL3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL9725531 0.77 TDP1 (0.32) LMNAHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL9725533 0.77 TDP1 (0.32) LMNAHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL10509918 0.77 DPP4 (0.35) LMNAKDM1APOLBAPOBEC3AAPOBEC3G
SCHEMBL9491268 0.77 ALDH1A1 (0.40) LMNAHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL9015529 0.76 NPC1 (0.51) L3MBTL1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL16143757 0.75 USP2 (0.40) MAPTL3MBTL1RAB9ALMNAHPGD
SCHEMBL11035938 0.75 MAPT (0.54) MAPTL3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL7661186 0.74 POLB (0.35) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1

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
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