SCHEMBL22098367

SCHEMBL22098367

CCc1cccc(CN2CCCC(C(C)=O)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL4512048 0.85 KDM4E (0.70) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL23182183 0.85 KDM4E (0.70) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14468540 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30223594 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL28949453 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL28949451 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL15538757 0.77 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL12174984 0.76 SCN4A (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5567542 0.76 SCN4A (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL12174911 0.76 SCN4A (0.62) KDM4EALDH1A1HPGDMEN1KMT2A

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
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
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