SCHEMBL22018590

SCHEMBL22018590

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CC=C(Cl)C=C1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 3/20 0.56
USP2 O75604 1/20 0.50
SLC27A1 Q6PCB7 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4215408 0.79 ALDH1A1 (0.72) ALDH1A1TSHRALOX15MAPK1
SCHEMBL22018510 0.77 TSHR (0.54) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL13738676 0.77 TSHR (0.69) ALDH1A1TSHRUSP2SLC27A1MAPT
SCHEMBL22018801 0.77 TSHR (0.53) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL22019413 0.77 TSHR (0.53) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL15986284 0.76 ALDH1A1 (1.00) ALDH1A1TSHRMAPTALOX15MAPK1
SCHEMBL22018594 0.75 ALDH1A1 (0.55) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL22019372 0.75 NPSR1 (0.51) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL22019374 0.75 TSHR (0.51) ALDH1A1TSHRUSP2SLC27A1RAB9A
SCHEMBL13739156 0.74 TSHR (0.69) ALDH1A1TSHRUSP2SLC27A1RAB9A

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