SCHEMBL23033308

SCHEMBL23033308

CCOC(=O)c1cc(-c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3o2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL23012894 0.92 RAB9A (0.39) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL23012788 0.89 MAPT (0.44) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL29479622 0.89 MAPT (0.44) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL16065191 0.81 UCHL1 (0.42) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL23033302 0.81 CETP (0.48) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL17206222 0.80 UCHL1 (0.39) —
SCHEMBL29479632 0.80 MAPT (0.48) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL28936297 0.80 MAPT (0.48) MAPTKDM4ERAB9AALDH1A1TP53
SCHEMBL29479831 0.78 CETP (0.56) —
SCHEMBL28706421 0.78 CETP (0.56) —

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
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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