SCHEMBL29479640

SCHEMBL29479640

CCOC(=O)c1cc(-c2nc3cc(-n4cnc(C)c4)ccc3o2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ MAPT P10636 8/20 0.39
▸ HPGD P15428 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ TP53 P04637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ WNT3A P56704 1/20 0.37

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
SCHEMBL28710682 1.00 NOTUM (0.46) NOTUMMAPTHPGDKDM4EALDH1A1
SCHEMBL23034059 0.87 MAOA (0.40) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL29479806 0.80 MAPT (0.40) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL28707215 0.80 MAPT (0.40) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL23033302 0.80 CETP (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL28706295 0.79 MAOA (0.38) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL28936297 0.79 MAPT (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL29479632 0.79 MAPT (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL29479793 0.78 KMT2A (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL28695332 0.78 KMT2A (0.48) MAPTHPGDKDM4EALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
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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