SCHEMBL28695332

SCHEMBL28695332

COC(=O)c1cc(-c2nc3cc(-n4cnnc4)ccc3o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MAPT P10636 9/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ PTPN2 P17706 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ PTPN5 P54829 3/20 0.40
▸ HSPD1 P10809 2/20 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
SCHEMBL29479793 1.00 KMT2A (0.48) KMT2AHPGDMEN1POLBMAPK1
SCHEMBL29479610 0.87 POLB (0.50) KMT2AHPGDMEN1POLBMAPK1
SCHEMBL28707273 0.87 POLB (0.50) KMT2AHPGDMEN1POLBMAPK1
SCHEMBL23012339 0.84 HDAC6 (0.46) KMT2AHPGDMEN1POLBMAPT
SCHEMBL29479594 0.84 HDAC6 (0.46) KMT2AHPGDMEN1POLBMAPT
SCHEMBL28701725 0.81 HDAC6 (0.54) KMT2AHPGDMEN1POLBMAPT
SCHEMBL28698102 0.81 MAPT (0.50) KMT2AHPGDMEN1POLBMAPT
SCHEMBL23012299 0.81 RAB9A (0.69) KMT2AHPGDMEN1POLBMAPT
SCHEMBL29479691 0.81 HDAC6 (0.54) KMT2AHPGDMEN1POLBMAPT
SCHEMBL23012204 0.80 MAPT (0.44) KMT2AHPGDMEN1POLBMAPK1

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-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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