SCHEMBL19981472

SCHEMBL19981472

O=C(I)/C=C/C(=O)Nc1nccs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
LMNA P02545 4/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 8/20 0.60
NPC1 O15118 8/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
TP53 P04637 2/20 0.60
GAA P10253 1/20 0.57
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.50
PTGS2 P35354 2/20 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
SCHEMBL19974134 0.85 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19974151 0.85 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL32690316 0.85 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL30271553 0.83 RAB9A (0.63) RAB9ALMNAMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL19974186 0.82 RAB9A (0.61) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL17844701 0.81 RAB9A (0.79) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL23657159 0.81 LMNA (0.74) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL23647322 0.80 RAB9A (0.62) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19974421 0.80 LMNA (0.68) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19981602 0.80 RAB9A (0.62) RAB9ALMNAMAPTHTTSMN1; SMN2

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
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO disclosed