SCHEMBL29479781

SCHEMBL29479781

COC(=O)c1cc(-c2nc3cc(N(C)C(C)=O)ccc3o2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ POLB P06746 4/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ CASP3 P42574 3/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL23012747 1.00 MAPT (0.46) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL28695329 0.88 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29479596 0.88 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29479691 0.81 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL23012299 0.81 RAB9A (0.69) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL28701725 0.81 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL28698102 0.81 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL23034143 0.81 MAPT (0.71) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL23033654 0.79 MAPT (0.54) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL28695332 0.77 KMT2A (0.48) MAPTRAB9ASMN1; SMN2TP53NPC1

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
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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