SCHEMBL13665018

SCHEMBL13665018

O=C(CCCC(=O)NC1CCOCC1)Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4325430 0.87 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1LMNANPC1
SCHEMBL4327565 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL4325248 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL13664964 0.83 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL4326027 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL13665038 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1LMNANPC1
SCHEMBL13665022 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL13665012 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL13665013 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL4327316 0.81 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1GAALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
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