SCHEMBL11830006

SCHEMBL11830006

CCOC(=O)n1c(N)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
PSMD14 O00487 1/20 0.60
GAA P10253 1/20 0.60
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
KDM4E B2RXH2 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 1/20 0.56
ASAH1 Q13510 5/20 0.55
LMNA P02545 2/20 0.55
NOD1 Q9Y239 2/20 0.52
POLB P06746 1/20 0.52
IDO1 P14902 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.51
TNF P01375 1/20 0.51

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
SCHEMBL16512787 0.88 RAB9A (0.60) L3MBTL1PSMD14GAANPC1RAB9A
SCHEMBL11702245 0.84 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11815693 0.82 GAA (0.60) L3MBTL1PSMD14GAANPC1RAB9A
SCHEMBL29178107 0.81 GAA (0.59) L3MBTL1PSMD14GAANPC1RAB9A
SCHEMBL17329317 0.81 NPC1 (0.56) L3MBTL1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14499768 0.79 GAA (0.57) L3MBTL1PSMD14GAANPC1RAB9A
SCHEMBL7961781 0.78 GAA (0.56) L3MBTL1PSMD14GAANPC1RAB9A
SCHEMBL116004 0.77 NPC1 (0.68) NPC1RAB9AKDM4ESMN1; SMN2PKM
SCHEMBL11883604 0.77 NPC1 (0.55) L3MBTL1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7952319 0.76 PSMD14 (0.54) L3MBTL1PSMD14GAARAB9AKDM4E

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-3934019-A FUNGICIDE, INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed