SCHEMBL28707273

SCHEMBL28707273

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ MAPK1 P28482 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL29479610 1.00 POLB (0.50) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL29479793 0.87 KMT2A (0.48) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL28695332 0.87 KMT2A (0.48) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL23034059 0.86 MAOA (0.40) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL23033979 0.83 S1PR1 (0.49) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL23012902 0.80 PIK3CA (0.63) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL29479649 0.80 PIK3CA (0.63) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL29479777 0.79 SMN1; SMN2 (0.59) POLBMAPTRAB9AMAPK1HPGD
SCHEMBL28711116 0.79 SMN1; SMN2 (0.59) POLBMAPTRAB9AMAPK1HPGD
SCHEMBL23012861 0.78 ALDH1A1 (0.43) MEN1KMT2AHPGDKDM4EALDH1A1

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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