SCHEMBL20267254

SCHEMBL20267254

CC/C=C/C(=O)Oc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL20267257 1.00 HTT (0.43) HTTMAPTLMNAPKMALDH1A1
SCHEMBL28000724 0.86 HTT (0.45) HTTMAPTLMNAPKMALDH1A1
SCHEMBL7499725 0.86 HTT (0.45) HTTMAPTLMNAPKMALDH1A1
SCHEMBL10348791 0.84 HTT (0.38) HTTMAPTLMNAPKMALDH1A1
Water SCHEMBL11456518 0.79 HTT (0.40) HTTMAPTLMNAPKMALDH1A1
SCHEMBL29053272 0.78 ALDH1A1 (0.38) HTTMAPTLMNAPKMALDH1A1
SCHEMBL27830130 0.76 THRB (0.38) HTTMAPTLMNAPKMALDH1A1
SCHEMBL2041342 0.74 PKM (0.42) HTTMAPTLMNAPKMALDH1A1
SCHEMBL28036689 0.74 RAB9A (0.55) HTTMAPTLMNAPKMALDH1A1
SCHEMBL10745463 0.73 HTT (0.35) HTTMAPTLMNAPKMALDH1A1

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
EP-3555095-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2019-10-23 — — EP disclosed
WO-2018108125-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-21 — — WO disclosed
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