SCHEMBL28698102

SCHEMBL28698102

COC(=O)c1cc(-c2nc3cc(Br)ccc3o2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ TP53 P04637 4/20 0.50
▸ HDAC6 Q9UBN7 7/20 0.49
▸ CETP P11597 1/20 0.48
▸ CEPT1 Q9Y6K0 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HDAC3 O15379 3/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSPD1 P10809 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL23033302 0.87 CETP (0.48) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL23033654 0.86 MAPT (0.54) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23012299 0.86 RAB9A (0.69) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28701725 0.86 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL29479691 0.86 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL23034143 0.83 MAPT (0.71) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29479781 0.81 MAPT (0.46) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL29479793 0.81 KMT2A (0.48) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL23012747 0.81 MAPT (0.46) MAPTRAB9ASMN1; SMN2TP53HDAC6
SCHEMBL28695332 0.81 KMT2A (0.48) MAPTRAB9ASMN1; SMN2TP53HDAC6

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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