SCHEMBL22018565

SCHEMBL22018565

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.43
PKM P14618 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
SCHEMBL22018568 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL13831399 0.79 POLB (0.59) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL13832337 0.75 POLB (0.59) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL22018782 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL22018785 0.71 NPSR1 (0.36) ALDH1A1KMT2APOLBMAPK1TSHR
SCHEMBL13832334 0.70 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL22018553 0.67 USP2 (0.79) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL13832305 0.67 POLB (0.58) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL15983314 0.66 CYP3A4 (0.51) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL13831430 0.65 POLB (0.82) ALDH1A1MEN1KMT2APOLBMAPK1

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