SCHEMBL20424042

SCHEMBL20424042

CCS(=O)(=O)c1c(C(=O)OC)ccc2ncc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PLA2G2A P14555 2/20 0.41
▸ NR4A2 P43354 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ MET P08581 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20424055 0.86 TP53 (0.40) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL20442235 0.80 NR4A2 (0.47) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL20442234 0.78 ABL1 (0.50) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL17442551 0.78 NR4A2 (0.45) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL20424058 0.70 KDM4E (0.48) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL31413729 0.68 PLA2G2A (0.46) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL19682925 0.67 OPRK1 (0.44) KDM4EGAANR4A2ALDH1A1TSHR
SCHEMBL4160132 0.67 OPRK1 (0.44) KDM4EMEN1KMT2ANR4A2ALDH1A1
SCHEMBL8784322 0.67 PLA2G2A (0.60) KDM4EMEN1KMT2APLA2G2AALDH1A1
SCHEMBL19437639 0.66 ABL1 (0.51) MEN1KMT2ANR4A2ALDH1A1HTT

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
WO-2018138050-A1 CONDENSED BICYCLIC HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-08-02 — — WO disclosed
WO-2018138050-A1 CONDENSED BICYCLIC HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-08-02 — — WO disclosed
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