SCHEMBL22018793

SCHEMBL22018793

O=Cn1c(SC2(C(=O)NC3=CC=CCC3)CC2)nnc1-c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22018516 0.90 CDC25A (0.36) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL13832233 0.83 TP53 (0.43) TP53LMNATSHRKDM4ECYP1A2
SCHEMBL13831712 0.77 TSHR (0.44) TP53ALDH1A1LMNATSHRCYP1A2
SCHEMBL22019347 0.76 ALDH1A1 (0.46) TP53ALDH1A1LMNAKDM4EHPGD
SCHEMBL13831508 0.73 HPGD (0.34) TP53ALDH1A1LMNATSHRKDM4E
SCHEMBL13832311 0.73 TP53 (0.39) TP53ALDH1A1LMNATSHRMAPK1
SCHEMBL22019423 0.73
SCHEMBL13831701 0.71 HTT (0.42) ALDH1A1LMNATSHRMAPK1HPGD
SCHEMBL13831427 0.70 KMT2A (0.41) TP53ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL22019409 0.69 ALDH1A1 (0.36) TP53ALDH1A1LMNAGLATSHR

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