SCHEMBL18669017

SCHEMBL18669017

O=C1CC(c2ccccc2)C(=O)N1Cc1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT6 P42226 1/20 0.43
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
CYP19A1 P11511 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 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
SCHEMBL3602720 0.83 ALDH1A1 (0.59) KMT2ATSHRPOLBSMN1; SMN2MEN1
SCHEMBL29158183 0.78 GPBAR1 (0.59) KMT2ATSHRPOLBSMN1; SMN2MEN1
SCHEMBL29158182 0.78 GPBAR1 (0.59) KMT2ATSHRPOLBSMN1; SMN2MEN1
SCHEMBL16350192 0.75 TSHR (0.62) KMT2ATSHRSMN1; SMN2MEN1L3MBTL1
SCHEMBL11059283 0.75 KMT2A (0.57) KMT2ATSHRSMN1; SMN2MEN1L3MBTL1
SCHEMBL12640683 0.74 CYP19A1 (0.62) KMT2ATSHRPOLBSMN1; SMN2GAA
SCHEMBL4510150 0.74 CHRM2 (0.52) KMT2APOLBMEN1ALDH1A1NPSR1
SCHEMBL41712 0.74 GSK3B (0.61) KMT2ATSHRSMN1; SMN2MEN1L3MBTL1
SCHEMBL5969377 0.73 ALDH1A1 (0.50) KMT2ATSHRPOLBSMN1; SMN2MEN1
SCHEMBL31030081 0.73 KMT2A (0.58) KMT2ATSHRSMN1; SMN2MEN1L3MBTL1

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
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed