SCHEMBL20828385

SCHEMBL20828385

Cn1c(COC2CCCCO2)nnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ ALDH1A1 P00352 7/20 0.42
▸ LMNA P02545 2/20 0.42
▸ VCP P55072 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ AR P10275 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ GFER P55789 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
SCHEMBL20828386 0.84 ALDH1A1 (0.39) MAPTALDH1A1LMNAVCPKMT2A
SCHEMBL5206947 0.76 IDO1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL20828343 0.73 DGAT1 (0.42) ALDH1A1LMNARAB9AGLANPC1
SCHEMBL11068614 0.72 KDM4E (0.49) MAPTALDH1A1LMNAKMT2ARAB9A
SCHEMBL26655923 0.71 HTT (0.48) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL16233111 0.71 HPGD (0.34) MAPTALDH1A1KMT2AMEN1RXFP1
SCHEMBL2367956 0.69 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL16197340 0.68 CYP1A2 (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5078481 0.68 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15244573 0.68 KDM4C (0.34) MAPTALDH1A1LMNAKMT2AMEN1

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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