SCHEMBL21260711

SCHEMBL21260711

COC1CN(c2ccc(C(O)Nc3sc4c(c3C(=O)O)CCC4)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 11/20 0.44
▸ KMT2A Q03164 11/20 0.44
▸ GRIN2C Q14957 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ ALDH1A1 P00352 3/20 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
SCHEMBL22681145 0.87 RAB7A (0.37) GLO1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21247134 0.84 GLO1 (0.64) GLO1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21260702 0.82 GLO1 (0.67) GLO1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL22680805 0.78 ACACB (0.33) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL22696752 0.76 GLO1 (0.48) GLO1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21259190 0.75 ACACB (0.33) —
SCHEMBL21247309 0.72 GLO1 (0.50) GLO1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL21247394 0.71 RAB7A (0.56) GLO1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL22696625 0.71 MEN1 (0.64) MAPTHPGDSMN1; SMN2RAB9ALMNA
SCHEMBL22696614 0.70 CXCR2 (0.48) MAPTLMNAPOLBMEN1KMT2A

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-2019154949-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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