SCHEMBL22018763

SCHEMBL22018763

CC(C)(C)OCn1c(SC(F)(F)C(=O)NC2=CC=CCC2)nnc1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL22018782 0.82 ALDH1A1 (0.49) MAPK1TSHRALDH1A1POLBKMT2A
SCHEMBL13832305 0.68 POLB (0.58) MAPK1TSHRALDH1A1POLBKMT2A
SCHEMBL13831441 0.67 POLB (0.41) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL22018558 0.66 ALDH1A1 (0.49) TSHRALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13831439 0.66 MEN1 (0.54) MAPK1TSHRALDH1A1POLBKMT2A
SCHEMBL22019356 0.64 ALDH1A1 (0.53) TSHRALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13831399 0.63 POLB (0.59) MAPK1TSHRALDH1A1POLBKMT2A
SCHEMBL22018917 0.63 ALDH1A1 (0.36) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL22019637 0.62 KDM4E (0.30) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL13832334 0.62 ALDH1A1 (0.57) MAPK1TSHRALDH1A1KDM4ECYP2C9

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