SCHEMBL27588554

SCHEMBL27588554

Nc1ccc(-n2[c]ncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL27606591 0.79 KEAP1 (0.40) KEAP1TAAR1
SCHEMBL27665839 0.79 NOTUM (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL27606547 0.77 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9162666 0.75 KDM4E (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9168221 0.72 GAA (0.45) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL27588543 0.71 HRH3 (0.42) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9763550 0.64 MEN1 (0.37) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL2096975 0.61
SCHEMBL3706685 0.61 MAPT (0.45) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL6512058 0.60 POLB (0.31) POLB

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-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed