SCHEMBL28137695

SCHEMBL28137695

Cn1nc2cccc(N)c2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ HSP90AB1 P08238 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
SCHEMBL29303154 0.75 ELANE (0.35) KDM4EMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL13733086 0.68 MAPT (0.41) MAPTPOLBKMT2ASLC9A1KEAP1
SCHEMBL31439989 0.67 BACE1 (0.38) AXLMAPTPOLBSLC9A1KEAP1
SCHEMBL8536634 0.65 PARP1 (0.36) AXLALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL21653691 0.64 PTPN11 (0.32) —
SCHEMBL13106207 0.64 HSP90AB1 (0.39) ALDH1A1POLBKMT2ASLC9A1KEAP1
SCHEMBL7134676 0.64 MAPK13 (0.40) AXLKDM4EMAPTALDH1A1KMT2A
SCHEMBL30847906 0.63 DDB1 (0.47) KDM4EMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL7850281 0.63 MEN1 (0.46) ALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL16993895 0.62 SLC9A1 (0.48) KDM4EMAPTHSD17B10ALDH1A1POLB

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-106604997-A Inhibitors of lysine specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2017-04-26 — — CN disclosed
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