SCHEMBL8878643

SCHEMBL8878643

O=C1COc2cc(F)c(N3C(=O)CC(C(F)(F)F)CC3=O)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR3C2 P08235 7/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MMP12 P39900 1/20 0.37
MEN1 O00255 1/20 0.36
KIF11 P52732 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9843624 0.85 MAPT (0.43) TRPV1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7968012 0.74 TP53 (0.42) KMT2AALDH1A1SMN1; SMN2NPSR1NR3C2
SCHEMBL9843931 0.74 CHRM1 (0.35) KMT2AALDH1A1POLBMEN1
SCHEMBL8986639 0.73 CHRM1 (0.39) KMT2AALDH1A1POLB
SCHEMBL9200926 0.73 AR (0.41) TRPV1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL4049030 0.73 MMP12 (0.54) TRPV1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL7556723 0.72 MMP12 (0.46) KMT2AALDH1A1SMN1; SMN2NPSR1NR3C2
SCHEMBL24865557 0.71 KIF11 (0.53) TRPV1KIF11
SCHEMBL8878349 0.71 CHRM1 (0.36) KMT2APOLB
SCHEMBL10491107 0.71 MAPT (0.46) TRPV1KMT2AALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed