SCHEMBL22019372

SCHEMBL22019372

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CN=Cc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
SLC27A1 Q6PCB7 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 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
SCHEMBL22019374 0.84 TSHR (0.51) NPSR1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL22019376 0.75 SLC27A1 (0.54) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4215408 0.75 ALDH1A1 (0.72) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22018590 0.75 ALDH1A1 (0.61) ALDH1A1TSHRUSP2RAB9ASLC27A1
SCHEMBL13831331 0.72 NPSR1 (0.88) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL22019368 0.71 TSHR (0.54) ALDH1A1TSHRUSP2RAB9ASLC27A1
SCHEMBL13739156 0.71 TSHR (0.69) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13738676 0.71 TSHR (0.69) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13832212 0.71 MEN1 (0.64) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13831882 0.70 KMT2A (0.71) ALDH1A1TSHRKMT2AKDM4EUSP2

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed