SCHEMBL22018568

SCHEMBL22018568

C/C=C\C=C(/C)NC(=O)C(F)Sc1nnc(-c2ccco2)n1CC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL22018565 0.81 ALDH1A1 (0.47) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13832285 0.79 POLB (0.58) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13832319 0.71 POLB (0.59) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13831402 0.69 POLB (0.55) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13832328 0.69 POLB (0.61) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL22018785 0.69 NPSR1 (0.36) ALDH1A1POLBTSHRKMT2AMAPK1
SCHEMBL13831425 0.68 POLB (0.55) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13832336 0.67 POLB (0.55) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL22018553 0.67 USP2 (0.79) ALDH1A1POLBTSHRALOX15HSD17B10
SCHEMBL13832306 0.67 POLB (0.58) ALDH1A1POLBTSHRALOX15HSD17B10

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