SCHEMBL22019374

SCHEMBL22019374

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CN=Cc2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
KDM4E B2RXH2 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
NPSR1 Q6W5P4 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
SCHEMBL22019372 0.84 NPSR1 (0.51) TSHRALDH1A1KMT2AUSP2KDM4E
SCHEMBL22019376 0.75 SLC27A1 (0.54) TSHRALDH1A1KMT2AUSP2RAB9A
SCHEMBL4215408 0.75 ALDH1A1 (0.72) TSHRALDH1A1KMT2ANPSR1
SCHEMBL22018590 0.75 ALDH1A1 (0.61) TSHRALDH1A1USP2RAB9ASLC27A1
SCHEMBL13831882 0.74 KMT2A (0.71) TSHRALDH1A1KMT2AUSP2KDM4E
SCHEMBL13739253 0.72 ALDH1A1 (0.74) TSHRALDH1A1KMT2AUSP2KDM4E
SCHEMBL13831740 0.72 NPSR1 (0.57) TSHRALDH1A1KMT2AUSP2RAB9A
SCHEMBL22019368 0.71 TSHR (0.54) TSHRALDH1A1USP2RAB9ASLC27A1
SCHEMBL13831727 0.71 NPSR1 (0.56) TSHRALDH1A1KMT2AUSP2KDM4E
SCHEMBL13831653 0.71 NPSR1 (0.56) TSHRALDH1A1KMT2AUSP2KDM4E

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