SCHEMBL22018528

SCHEMBL22018528

CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1C1C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.35
POLB P06746 3/20 0.34
CYP3A4 P08684 1/20 0.34
RORC P51449 1/20 0.34
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC27A1 Q6PCB7 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
SCHEMBL22018983 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPOLBCYP3A4RORC
SCHEMBL22018591 0.79 ALDH1A1 (0.36) ALDH1A1TSHRUSP2POLBCYP3A4
SCHEMBL22018772 0.78 ALDH1A1 (0.38) ALDH1A1TSHRUSP2POLBCYP3A4
SCHEMBL22018525 0.78 ALDH1A1 (0.35) ALDH1A1TSHRPOLBSLC27A1
SCHEMBL13831008 0.77 GAA (0.53) ALDH1A1TSHRUSP2POLBRAB9A
SCHEMBL22018495 0.76 ALDH1A1 (0.33) ALDH1A1TSHRPOLBCYP3A4RORC
SCHEMBL13831993 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1
SCHEMBL13832229 0.75 ALDH1A1 (0.57) ALDH1A1TSHRUSP2POLBCYP3A4
SCHEMBL13831226 0.73 GAA (0.51) ALDH1A1TSHRUSP2RAB9AMAPK1
SCHEMBL13831893 0.73 GAA (0.51) ALDH1A1TSHRUSP2RAB9AMAPK1

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