SCHEMBL22018782

SCHEMBL22018782

CCn1c(SC(C)(C)C(=O)NC2=CC=CCC2)nnc1-c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL22018558 0.84 ALDH1A1 (0.49) ALDH1A1HPGDPOLBTSHRMAPT
SCHEMBL22018763 0.82 MAPK1 (0.38) ALDH1A1HPGDTP53POLBMAPK1
SCHEMBL13831399 0.81 POLB (0.59) ALDH1A1HPGDPOLBMAPK1KMT2A
SCHEMBL22019637 0.80 KDM4E (0.30) ALDH1A1HPGD
SCHEMBL22018917 0.78 ALDH1A1 (0.36) ALDH1A1HPGDTP53KMT2AMEN1
SCHEMBL13832337 0.78 POLB (0.59) ALDH1A1HPGDPOLBMAPK1KMT2A
SCHEMBL22019356 0.74 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL22018565 0.73 ALDH1A1 (0.47) ALDH1A1HPGDPOLBMAPK1KMT2A
SCHEMBL13832334 0.72 ALDH1A1 (0.57) ALDH1A1HPGDTP53POLBMAPK1
SCHEMBL13832305 0.68 POLB (0.58) ALDH1A1HPGDPOLBMAPK1KMT2A

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