SCHEMBL29479789

SCHEMBL29479789

CCOC(=O)c1cc(-c2nc3cc(-c4nnn(C)n4)ccc3o2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ HPSE Q9Y251 1/20 0.39
▸ TP53 P04637 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 3/20 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
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KIFC1 Q9BW19 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL28710720 1.00 MAPT (0.41) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL23034006 0.86 S1PR1 (0.41) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL29479805 0.83 JMJD6 (0.48) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL23012200 0.83 JMJD6 (0.48) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL29479822 0.82 KDM4D (0.45) MAPTRXFP1TP53SMN1; SMN2RAB9A
SCHEMBL23012864 0.82 KDM4D (0.45) MAPTRXFP1TP53SMN1; SMN2RAB9A
SCHEMBL23012088 0.82 MAPT (0.41) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL29479721 0.82 MAPT (0.41) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL28707215 0.81 MAPT (0.40) MAPTRXFP1HPSETP53SMN1; SMN2
SCHEMBL29479806 0.81 MAPT (0.40) MAPTRXFP1HPSETP53SMN1; 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 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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