SCHEMBL2787058

SCHEMBL2787058

O=C(NSc1ccccc1F)Nc1noc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ3 P48549 1/20 0.42
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 2/20 0.36
HTR3A P46098 3/20 0.36
CHRNA7 P36544 2/20 0.36
GRIK1 P39086 1/20 0.35
MAPT P10636 2/20 0.34
EPHX2 P34913 1/20 0.34
KAT6A Q92794 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2786321 0.82 TP53 (0.44) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2788089 0.80 SMN1; SMN2 (0.46) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2787333 0.78 SMN1; SMN2 (0.45) TP53SMN1; SMN2ALOX15KMT2AALDH1A1
SCHEMBL2784919 0.77 SMN1; SMN2 (0.56) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2787441 0.75 TP53 (0.47) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2785764 0.75 ABCC9 (0.45) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2785392 0.75 MAPT (0.42) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2786470 0.73 HTR3A (0.44) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2784590 0.73 TP53 (0.40) TP53SMN1; SMN2ALOX15TSHRKCNJ6
SCHEMBL2439515 0.73 TP53 (0.48) TP53SMN1; SMN2ALOX15TSHRKCNJ6

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed