SCHEMBL27805012

SCHEMBL27805012

Fc1ccccc1N1CCN(c2cc(C3CNCCO3)nc(N3CCN(c4ccccc4)CC3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27967345 0.95 MAPT (0.40) ALDH1A1MAPTLMNASLC6A2SLC6A4
SCHEMBL27967265 0.91 MAPT (0.40) MAPTLMNAMAPK1GFERGAA
SCHEMBL27825633 0.88 CASP1 (0.44) MAPTKDM4EKMT2A
SCHEMBL27825618 0.87 SLC6A2 (0.35) ALDH1A1MAPTLMNASLC6A2SLC6A4
SCHEMBL27805094 0.86 NCF1 (0.34) MAPTGFERSLC6A2SLC6A4SLC6A3
SCHEMBL27825621 0.85 MAPT (0.35) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL27804977 0.82 PIK3CA (0.48) MAPTKDRSYK
SCHEMBL27805003 0.81 MAPT (0.42) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL27967259 0.81 NCF1 (0.37) HRH1KCNH2
SCHEMBL27805014 0.79 MAPT (0.51) ALDH1A1MAPTLMNAMAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN claimed
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN disclosed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN disclosed
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