SCHEMBL22018511

SCHEMBL22018511

O=C(CSc1nnc(C2C=CC=CC2)n1Cc1cccc2ccccc12)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
RORC P51449 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
FAAH O00519 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL22019415 0.85 CYP3A4 (0.46) CYP3A4RORCKMT2AMEN1USP2
SCHEMBL22018787 0.81 RORC (0.69) CYP3A4RORCSMN1; SMN2ALDH1A1TP53
SCHEMBL13831540 0.78 TP53 (0.60) CYP3A4USP2TSHRGAASMN1; SMN2
SCHEMBL13831364 0.77 TSHR (0.56) TSHRGAASMN1; SMN2ALDH1A1TP53
SCHEMBL13831377 0.76 KMT2A (0.64) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL19160771 0.74 TSHR (0.53) CYP3A4USP2TSHRGAASMN1; SMN2
SCHEMBL13832214 0.74 NPSR1 (0.62) CYP3A4KMT2AMEN1USP2TSHR
SCHEMBL13831394 0.74 ALDH1A1 (0.62) CYP3A4KMT2AMEN1USP2TSHR
SCHEMBL19160506 0.73 TP53 (0.48) CYP3A4KMT2AMEN1USP2TSHR
SCHEMBL13831974 0.73 ALDH1A1 (0.61) KMT2AMEN1USP2TSHRGAA

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