SCHEMBL26334075

SCHEMBL26334075

N#Cc1ccccc1OCC(=O)NI

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
GAA P10253 1/20 0.69
MAPK1 P28482 1/20 0.68
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
NOTUM Q6P988 1/20 0.62
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TP53 P04637 2/20 0.61
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CTSS P25774 1/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13744249 0.85 NOTUM (0.74) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL10153796 0.84 SMN1; SMN2 (0.72) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL7000350 0.82 RAB9A (0.80) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL13515794 0.81 NOTUM (0.66) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL13665153 0.80 NOTUM (0.65) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL2949440 0.80 HPGD (0.67) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL13665156 0.80 NOTUM (0.65) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL1279945 0.80 SMN1; SMN2 (0.63) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL7218028 0.79 ALDH1A1 (0.76) SMN1; SMN2GAAMAPK1RAB9ANPC1
SCHEMBL4910951 0.79 SMN1; SMN2 (0.59) SMN1; SMN2GAAMAPK1RAB9ANPC1

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-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed