SCHEMBL30933431

SCHEMBL30933431

Cc1nn2c(N3CCOCC3)c(C(=O)O)ccc2c1-c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2B O00750 6/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL23355481 1.00 PIK3C2B (0.42) PIK3C2BPIK3CDMTORPIK3CGKDM4E
SCHEMBL23355434 0.90 GAA (0.46) KDM4ETSHRALDH1A1LMNAGAA
SCHEMBL30933444 0.81 P2RX7 (0.40) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL23355445 0.81 P2RX7 (0.40) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL29273417 0.79 NOTUM (0.36) LMNAGAAL3MBTL1KMT2AMEN1
SCHEMBL24251447 0.73 CNR1 (0.39) ALDH1A1KMT2AMEN1HPGD
SCHEMBL19492771 0.73 MEN1 (0.47) PIK3C2BPIK3CDMTORPIK3CGALDH1A1
SCHEMBL29273410 0.71 ALDH1A1 (0.37) KDM4EALDH1A1HPGDRORCRXFP1
SCHEMBL30933439 0.71 ALDH1A1 (0.36) KDM4ETSHRALDH1A1LMNAKMT2A
SCHEMBL23355444 0.71 ALDH1A1 (0.36) KDM4ETSHRALDH1A1LMNAKMT2A

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
CN-112996788-B Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2024-07-16 — — CN disclosed
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