SCHEMBL28179434

SCHEMBL28179434

COc1ccccc1-c1cccn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ GFER P55789 1/20 0.46
▸ CXCR2 P25025 1/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ ICMT O60725 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCL2L2 Q92843 1/20 0.40

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
SCHEMBL28178688 0.78 PDE4A (0.50) KMT2AP2RX7MAPTLMNAALDH1A1
SCHEMBL28179450 0.78 TUBB4A (0.47) TP53KMT2AP2RX7MAPTLMNA
SCHEMBL14324139 0.78 LMNA (0.57) TP53KMT2AP2RX7TDP1MAPT
SCHEMBL14324044 0.78 HDAC8 (0.58) TP53KMT2AGFERCXCR2P2RX7
SCHEMBL7599289 0.76 ALDH1A1 (0.51) TP53KMT2AP2RX7TDP1MAPT
SCHEMBL28179465 0.75 CYP11B1 (0.56) TP53KMT2ACXCR2MAPTLMNA
SCHEMBL17975189 0.73 HDAC6 (0.41) P2RX7TDP1ALDH1A1KDM4EHDAC8
SCHEMBL29079807 0.73 APP (0.46) TP53KMT2AALDH1A1
SCHEMBL27502740 0.73 ALDH1A1 (0.42) KMT2ATDP1MAPTLMNAALDH1A1
SCHEMBL28110914 0.72 CYP11B1 (0.55) MAPTLMNAALDH1A1KDM4EHDAC8

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
CN-104370793-B Pyroles marine alkaloids Neolamellarin A analogs and its preparation method and application 中国海洋大学 2017-10-17 — — CN disclosed
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