SCHEMBL20828386

SCHEMBL20828386

Cn1c(COC2CCCCO2)nnc1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD11B2 P80365 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ TNK2 Q07912 2/20 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
SCHEMBL20828385 0.84 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL25422781 0.76 SLCO1B1 (0.39) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL20828343 0.75 DGAT1 (0.42) ALDH1A1NPC1RAB9ALMNA
SCHEMBL2830733 0.73 ICAM1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3522758 0.69 MEN1 (0.35) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL30664608 0.67 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL26655880 0.67 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL15244567 0.66 KDM4C (0.37) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21058017 0.66 GABRA5 (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16979834 0.66 KDM4C (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A

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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