SCHEMBL19789908

SCHEMBL19789908

C=Cc1c(/C=C\C)n(C)c2cccc(C)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19849120 0.79 — —
SCHEMBL19789897 0.78 GPR3 (0.34) MAPTALDH1A1LMNATDP1ALKBH5
SCHEMBL18626392 0.76 LMNA (0.44) MAPTALDH1A1LMNANPSR1TDP1
SCHEMBL19738612 0.76 ALKBH5 (0.42) MAPTRAB9AALKBH5FTOKDM4E
SCHEMBL19789714 0.73 — —
SCHEMBL25768644 0.71 MAPT (0.33) MAPTALDH1A1LMNAPKMIDO1
SCHEMBL20206462 0.70 — —
SCHEMBL25734896 0.70 — —
SCHEMBL22544530 0.70 HSD17B10 (0.31) ALDH1A1LMNA
SCHEMBL16883877 0.70 GPR3 (0.44) MAPTALDH1A1LMNARAB9ANPSR1

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-2650941-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-01-24 — — EP disclosed
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