SCHEMBL23033654

SCHEMBL23033654

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ KDM4E B2RXH2 7/20 0.49
▸ PTPN2 P17706 3/20 0.49
▸ PTPN1 P18031 3/20 0.49
▸ PTPN5 P54829 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ HSPD1 P10809 2/20 0.49
▸ HSPE1 P61604 2/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 5/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47

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
SCHEMBL23034143 0.88 MAPT (0.71) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL28698102 0.86 MAPT (0.50) MAPTKDM4EPTPN2PTPN1PTPN5
SCHEMBL28706300 0.85 KDM4E (0.52) MAPTKDM4EPTPN2PTPN1PTPN5
SCHEMBL31165939 0.85 KDM4E (0.64) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL29479671 0.85 KDM4E (0.52) MAPTKDM4EPTPN2PTPN1PTPN5
SCHEMBL23012520 0.85 KDM4E (0.64) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL23012299 0.84 RAB9A (0.69) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL29479691 0.84 HDAC6 (0.54) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL28701725 0.84 HDAC6 (0.54) MAPTKDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL23033327 0.83 MAPT (0.53) MAPTKDM4EPOLBRAB9ASMN1; 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 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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