SCHEMBL2786232

SCHEMBL2786232

O=C(NSCCc1ccc(Cl)cc1)Nc1noc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 6/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KCNJ6 P48051 1/20 0.47
KCNJ3 P48549 1/20 0.47
FAAH O00519 8/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2784672 0.92 TP53 (0.48) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2786687 0.89 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2788417 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2786507 0.81 TP53 (0.49) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2785768 0.78 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2787477 0.78 TP53 (0.54) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2785136 0.77 TP53 (0.59) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2783815 0.76 TP53 (0.52) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2787234 0.74 SMN1; SMN2 (0.47) SMN1; SMN2TP53ALOX15TSHRKCNJ6
SCHEMBL2788190 0.74 SMN1; SMN2 (0.55) SMN1; SMN2TP53ALOX15TSHRKCNJ6

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