SCHEMBL11618643

SCHEMBL11618643

O=C1c2ccccc2C(=O)N1Cc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 4/20 0.60
CASP3 P42574 2/20 0.59
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
ALDH1A1 P00352 1/20 0.54
ALDH3A1 P30838 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.52
CA1 P00915 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 1/20 0.51
CACNA1G O43497 2/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
IDO1 P14902 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
SCHEMBL13442860 0.94 CASP3 (0.70) UBE2NTDP1KMT2ACASP3CA2
SCHEMBL28737148 0.87 UBE2N (0.82) UBE2NTDP1CA2CA9CA12
SCHEMBL2258501 0.87 KMT2A (0.70) KMT2ACASP3CA2CA9CA12
SCHEMBL18669018 0.86 CASP3 (0.63) UBE2NTDP1KMT2ACASP3CA2
SCHEMBL7954623 0.83 CASP3 (0.59) UBE2NTDP1CASP3CA2CA9
SCHEMBL18974298 0.83 ALDH1A1 (0.73) UBE2NTDP1KMT2ACASP3CA2
SCHEMBL14303138 0.83 UBE2N (0.63) UBE2NTDP1KMT2ACA2CA9
SCHEMBL15437827 0.82 NR1H2 (0.52) UBE2NTDP1KMT2ACA2CA9
SCHEMBL31430155 0.81 KMT2A (0.63) KMT2ACASP3CA12NPSR1MEN1
SCHEMBL5010655 0.81 KMT2A (0.75) UBE2NTDP1KMT2ACA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 US claimed
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