SCHEMBL22018495

SCHEMBL22018495

CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1C1C=c2c(ncn2C)=NC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 3/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
RORC P51449 1/20 0.31

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 0.76 ALDH1A1 (0.37) ALDH1A1TSHRPOLBRAB9ACYP3A4
SCHEMBL22018983 0.74 ALDH1A1 (0.39) ALDH1A1TSHRPOLBRAB9ACYP3A4
SCHEMBL13831008 0.74 GAA (0.53) ALDH1A1TSHRL3MBTL1POLBRAB9A
SCHEMBL13832098 0.73 ALDH1A1 (0.42) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL13831993 0.73 ALDH1A1 (0.51) ALDH1A1TP53
SCHEMBL14475635 0.72 ALDH1A1 (0.45) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL13831646 0.72 GAA (0.39) ALDH1A1TSHRL3MBTL1POLBRAB9A
SCHEMBL22018591 0.72 ALDH1A1 (0.36) ALDH1A1TSHRPOLBRAB9ACYP3A4
SCHEMBL13831748 0.71 ALDH1A1 (0.40) ALDH1A1TSHRPOLBRAB9A
SCHEMBL13831027 0.70 NPSR1 (0.39) ALDH1A1TSHRPOLBRAB9ATP53

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