SCHEMBL31433144

SCHEMBL31433144

[2H]c1noc(COc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
TDP1 Q9NUW8 5/20 0.53
MAPK1 P28482 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
PKM P14618 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
SCHEMBL9307047 0.81 RAB9A (0.51) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL7007243 0.68 RAB9A (0.50) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL6002649 0.67 RAB9A (0.51) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL28996301 0.67 RAB9A (0.51) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL18404750 0.66 RAB9A (0.51) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL31154527 0.65 RAB9A (0.44) SMN1; SMN2RAB9ANPC1TDP1ALDH1A1
SCHEMBL28564941 0.64 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL28414600 0.64 NPC1 (0.46) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL1759493 0.63 LMNA (0.50) SMN1; SMN2RAB9ANPC1TDP1MAPK1
SCHEMBL10547054 0.63 NPC1 (0.59) SMN1; SMN2RAB9ANPC1TDP1MAPK1

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-2025052333-A1 NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE PI INDUSTRIES LTD. (IN) 2025-03-13 WO disclosed