SCHEMBL30500265

SCHEMBL30500265

O=c1oc(-c2ccc(O)c(Cl)c2)nc2sc3c(c12)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.65
MAPT P10636 8/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 6/20 0.65
RAB9A P51151 4/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
KMT2A Q03164 5/20 0.61
CASP3 P42574 3/20 0.61
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 2/20 0.61
PLA2G1B P04054 1/20 0.61
BLM P54132 1/20 0.61
CASP6 P55212 1/20 0.61
CASP8 Q14790 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61

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
SCHEMBL25195367 1.00 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL914016 0.79 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL912737 0.79 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL914037 0.77 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL914213 0.77 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL913600 0.77 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL913965 0.76 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL913313 0.75 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL914596 0.75 MAPT (0.77) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL3916315 0.74 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1HPGDRAB9A

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
CN-116323578-A Thiophene HSD17B13 inhibitor and application thereof 伊尼制药公司 2023-06-23 CN disclosed