SCHEMBL27668652

SCHEMBL27668652

O=CC1Oc2ccc(-c3ccccc3)cc2N1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ AVPR2 P30518 1/20 0.45
▸ OXTR P30559 1/20 0.45
▸ AVPR1A P37288 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL28765859 0.93 MAPK1 (0.47) MAPK1RECQLALDH1A1KDM4EPOLB
SCHEMBL27687686 0.90 AVPR2 (0.50) MAPK1RECQLALDH1A1KDM4EPOLB
SCHEMBL27668682 0.82 TSHR (0.46) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL27668669 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBPKMKMT2A
SCHEMBL27687596 0.75 LMNA (0.45) MAPK1ALDH1A1KDM4EPOLBMAPT
SCHEMBL5425205 0.71 HTT (0.54) ALDH1A1KDM4EPOLBPKMKMT2A
SCHEMBL29538698 0.69 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBPKMKMT2A
SCHEMBL28753498 0.68 HTR2B (0.40) KDM4EKMT2AMEN1GAA
SCHEMBL21515338 0.68 CHRM2 (0.74) MAPK1ALDH1A1KDM4EPOLBPKM
SCHEMBL27004711 0.66 ALDH1A1 (0.66) RECQLALDH1A1KDM4EPOLBPKM

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-1922141-A Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO (JP) 2007-02-28 — — CN disclosed
Send feedback