SCHEMBL22019414

SCHEMBL22019414

O=C(CSc1nnc(C2C=CSC2)n1-c1ccc(F)cc1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
PPARG P37231 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGES O14684 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13831817 0.76 TP53 (0.74) ALDH1A1KDM4EMAPTCYP3A4CYP2C9
SCHEMBL13831373 0.76 KMT2A (0.86) ALDH1A1KDM4EMAPTCYP3A4CYP2C9
SCHEMBL22019415 0.76 CYP3A4 (0.46) ALDH1A1KDM4EMAPTCYP3A4KMT2A
SCHEMBL13831342 0.75 MAPT (0.75) ALDH1A1MAPTTSHR
SCHEMBL13831502 0.73 TP53 (0.63) ALDH1A1KDM4EMAPTKMT2AHTT
SCHEMBL13830823 0.72 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTKMT2AHTT
SCHEMBL13831163 0.72 TP53 (0.65) ALDH1A1KDM4EMAPTKMT2AHTT
SCHEMBL13831407 0.72 POLB (0.68) ALDH1A1CYP3A4CYP2C19KMT2AMEN1
SCHEMBL13832007 0.71 KMT2A (0.77) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL22019419 0.69 POLB (0.52) ALDH1A1KDM4ECYP3A4CYP2C9KMT2A

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