SCHEMBL22019401

SCHEMBL22019401

CC(Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.68
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
TSHR P16473 4/20 0.55
MAPT P10636 2/20 0.55
LRRK2 Q5S007 1/20 0.54
HPGD P15428 2/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL22019389 0.86 ALDH1A1 (0.58) LMNAALDH1A1TSHRMAPTLRRK2
SCHEMBL22019397 0.83 KDM4E (0.63) CPB1LMNAALDH1A1TSHRMAPT
SCHEMBL15983293 0.81 NPSR1 (0.59) CPB1NPSR1LMNAALDH1A1TSHR
SCHEMBL22019393 0.80 LRRK2 (0.54) CPB1NPSR1LMNAALDH1A1TSHR
SCHEMBL22019405 0.80 LRRK2 (0.58) CPB1LMNAALDH1A1LRRK2KMT2A
SCHEMBL22019400 0.79 LRRK2 (0.57) CPB1LMNAALDH1A1TSHRMAPT
SCHEMBL3902836 0.75 TSHR (0.79) CPB1NPSR1LMNAALDH1A1TSHR
SCHEMBL13832206 0.75 CPB1 (0.55) CPB1NPSR1LMNAALDH1A1TSHR
SCHEMBL13832259 0.74 MEN1 (0.62) NPSR1LMNAALDH1A1TSHRMAPT
SCHEMBL13832302 0.74 CPB1 (0.59) CPB1NPSR1LMNAALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed