SCHEMBL28706295

SCHEMBL28706295

Cc1cn(-c2ccc3oc(-c4ccnc(C=O)c4)nc3c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ KDM4E B2RXH2 6/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL23034059 0.83 MAOA (0.40) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL29479640 0.79 NOTUM (0.46) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28710682 0.79 NOTUM (0.46) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28695313 0.78 S1PR1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28714666 0.77 NPC1 (0.38) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28707228 0.75 ACVR1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28710708 0.74 KDM4E (0.40) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28707207 0.74 PIM1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28713414 0.73 NPC1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28706317 0.73 KDM4E (0.39) KDM4ENPC1RAB9ASMN1; SMN2HPGD

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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