SCHEMBL29479632

SCHEMBL29479632

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ HPSE Q9Y251 4/20 0.47
▸ HDAC6 Q9UBN7 5/20 0.44
▸ TP53 P04637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 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
SCHEMBL28936297 1.00 MAPT (0.48) MAPTHPSEHDAC6TP53RAB9A
SCHEMBL28695257 0.89 MAPT (0.50) MAPTHDAC6TP53RXFP1HDAC3
SCHEMBL29479729 0.89 MAPT (0.50) MAPTHDAC6TP53RXFP1HDAC3
SCHEMBL23033302 0.86 CETP (0.48) MAPTHDAC6TP53RAB9ASMN1; SMN2
SCHEMBL29479718 0.84 MAPT (0.44) MAPTHDAC6TP53RAB9ASMN1; SMN2
SCHEMBL23012156 0.84 MAPT (0.44) MAPTHDAC6TP53RAB9ASMN1; SMN2
SCHEMBL23012158 0.84 MAPT (0.44) MAPTHDAC6TP53RAB9ASMN1; SMN2
SCHEMBL29479831 0.83 CETP (0.56) HDAC6
SCHEMBL28706421 0.83 CETP (0.56) HDAC6
SCHEMBL23012864 0.81 KDM4D (0.45) MAPTHDAC6TP53RAB9ASMN1; 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
Send feedback