SCHEMBL23033474

SCHEMBL23033474

CCOc1ccc(NC(=O)C2CC2)cc1NC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ RECQL P46063 1/20 0.54
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ RORC P51449 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL23033513 0.85 POLB (0.62) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL13110648 0.82 TDP1 (0.67) RAB9AMAPTGAAKMT2AALDH1A1
SCHEMBL23033597 0.78 TDP1 (0.48) RAB9AMAPTGAAKMT2AALDH1A1
SCHEMBL10114113 0.73 KMT2A (0.47) POLBRECQLRAB9AMAPTGAA
SCHEMBL10113328 0.73 NPY5R (0.51) POLBRECQLRAB9AMAPTGAA
SCHEMBL13203856 0.73 NPY5R (0.51) POLBRECQLRAB9AMAPTGAA
SCHEMBL10874979 0.73 TDP1 (0.70) RECQLMAPTGAAKMT2AALDH1A1
SCHEMBL23033434 0.73 POLB (0.48) POLBMAPTGAAALDH1A1LMNA
SCHEMBL10791274 0.72 RECQL (0.55) POLBRECQLRAB9AMAPTGAA
SCHEMBL10114241 0.72 KMT2A (0.45) POLBRECQLRAB9AMAPTGAA

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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