SCHEMBL7713401

SCHEMBL7713401

COc1ccc(-c2ncc(C(O)C3CC3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.47
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B2 P19099 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL7713434 0.82 PDE2A (0.39) MEN1KMT2A
SCHEMBL27692214 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL16763014 0.72 CHRNA7 (0.41) MEN1KMT2A
SCHEMBL9951087 0.71 TRPV3 (0.45) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL4611536 0.71 SLC6A2 (0.60) IDO1TDO2NPC1RAB9ASLC6A2
SCHEMBL24920827 0.71 IDO1 (0.35) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL10200042 0.70 TRPV3 (0.47) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL4416324 0.70 CLK4 (0.64) CLK4NPC1RAB9AKDM4EMAPT
SCHEMBL10803360 0.69 ESR2 (0.44) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL21788564 0.69 TDP1 (0.47) SLC6A2SLC6A4SLC6A3

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
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed
US-5045105-A Use of derivatives of n-phenyl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed