SCHEMBL23033340

SCHEMBL23033340

COC(=O)c1ccnc(-c2nc3cc(NC(=O)OC(C)(C)C)ccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ HSPD1 P10809 2/20 0.46
▸ PTPN2 P17706 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ PTPN5 P54829 2/20 0.46
▸ HSPE1 P61604 2/20 0.46
▸ AGPAT2 O15120 7/20 0.45
▸ THRB P10828 1/20 0.45
▸ PTGS2 P35354 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ KDM5C P41229 1/20 0.43

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
SCHEMBL23033336 0.87 MAPT (0.69) MAPTHSPD1PTPN2PTPN1PTPN5
SCHEMBL23033327 0.83 MAPT (0.53) MAPTTHRBPTGS2ALDH1A1KDM4E
SCHEMBL28936032 0.80 AGPAT2 (0.47) MAPTAGPAT2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23033337 0.79 RAB9A (0.67) MAPTHSPD1PTPN2PTPN1PTPN5
SCHEMBL29479738 0.78 ALDH1A1 (0.64) MAPTTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL23033325 0.78 ALDH1A1 (0.51) MAPTTHRBPTGS2ALDH1A1KDM4E
SCHEMBL28714635 0.76 AGPAT2 (0.49) MAPTAGPAT2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29479783 0.76 AGPAT2 (0.55) MAPTAGPAT2PTGS2ALDH1A1KDM4E
SCHEMBL23012730 0.76 AGPAT2 (0.55) MAPTAGPAT2PTGS2ALDH1A1KDM4E
SCHEMBL23033541 0.76 KDM4E (0.50) MAPTAGPAT2ALDH1A1KDM4ESMN1; SMN2

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
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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