SCHEMBL22018591

SCHEMBL22018591

CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1C1CC=C(F)C=C1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 4/20 0.34
PDE6D O43924 1/20 0.33
CYP3A4 P08684 1/20 0.33
RORC P51449 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL22018528 0.79 ALDH1A1 (0.37) ALDH1A1TSHRRAB9APOLBCYP3A4
SCHEMBL13831008 0.76 GAA (0.53) ALDH1A1TSHRRAB9APOLBMAPK1
SCHEMBL22018772 0.76 ALDH1A1 (0.38) ALDH1A1TSHRRAB9APOLBCYP3A4
SCHEMBL22018983 0.75 ALDH1A1 (0.39) ALDH1A1TSHRRAB9APOLBCYP3A4
SCHEMBL13832082 0.75 LMNA (0.45) ALDH1A1TSHRRAB9A
SCHEMBL13831993 0.75 ALDH1A1 (0.51) ALDH1A1MAPK1
SCHEMBL13832229 0.74 ALDH1A1 (0.57) ALDH1A1TSHRRAB9APOLBCYP3A4
SCHEMBL13832130 0.74 ALDH1A1 (0.44) ALDH1A1TSHRRAB9APOLBCYP3A4
SCHEMBL13831893 0.73 GAA (0.51) ALDH1A1TSHRRAB9AMAPK1USP2
SCHEMBL13831226 0.73 GAA (0.51) ALDH1A1TSHRRAB9AMAPK1USP2

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