SCHEMBL21649772

SCHEMBL21649772

CNC(=O)c1cc(C)cc2c(-c3cccc(OCCO)c3)c(C)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 2/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL28933660 0.89 NR1H4 (0.39) LMNAADORA1ALDH1A1GAAHTT
SCHEMBL19437381 0.87 L3MBTL1 (0.41) LMNAADORA1ALDH1A1GAAHTT
SCHEMBL20983354 0.79 LMNA (0.37) LMNAADORA1ALDH1A1GAAHTT
SCHEMBL28692716 0.78 NR1H4 (0.47) SMN1; SMN2NR1H2NR1H3PTGER4MAOB
SCHEMBL21649780 0.76 BRD4 (0.46) —
SCHEMBL19456268 0.76 BRD4 (0.46) —
SCHEMBL19437263 0.75 JAK2 (0.46) ALDH1A1SMN1; SMN2NR1H2PTGER4MAOB
SCHEMBL19456225 0.67 BRD4 (0.54) —
SCHEMBL18731782 0.66 BRD4 (0.54) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8265682 0.65 ALDH1A1 (0.52) LMNAALDH1A1KDM4ESMN1; SMN2POLB

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-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 — — EP disclosed
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