SCHEMBL22019368

SCHEMBL22019368

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1C=CC(c2ccccc2)=NC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
THRB P10828 1/20 0.49
USP2 O75604 1/20 0.49
SLC27A1 Q6PCB7 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL22019367 0.87 SLC27A1 (0.54) TSHRALDH1A1RAB9AMAPTUSP2
SCHEMBL22018510 0.81 TSHR (0.54) TSHRALDH1A1RAB9AMAPTUSP2
SCHEMBL22018518 0.80 ALDH1A1 (0.55) TSHRALDH1A1TP53RAB9AMAPT
SCHEMBL4215408 0.77 ALDH1A1 (0.72) TSHRALDH1A1MAPK1
SCHEMBL22018594 0.77 ALDH1A1 (0.55) TSHRALDH1A1RAB9AMAPTUSP2
SCHEMBL22018589 0.77 ALDH1A1 (0.53) TSHRALDH1A1RAB9AMAPTUSP2
SCHEMBL13831528 0.77 TP53 (0.74) TSHRALDH1A1TP53RAB9AMAPT
SCHEMBL22019376 0.76 SLC27A1 (0.54) TSHRALDH1A1RAB9AMAPTUSP2
SCHEMBL22018592 0.76 ALDH1A1 (0.54) TSHRALDH1A1MAPTUSP2SLC27A1
SCHEMBL22019413 0.75 TSHR (0.53) TSHRALDH1A1RAB9AMAPTUSP2

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