SCHEMBL7366357

SCHEMBL7366357

CCOc1ccc([C@@H]2CCCC[C@@H]2N)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.55
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
APOBEC3G Q9HC16 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
PRNP P04156 1/20 0.44
ALOX15 P16050 1/20 0.44
BRCA1 P38398 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.40
PDE4A P27815 3/20 0.39
POLB P06746 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RECQL P46063 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
SCHEMBL7366355 1.00 KDM1A (0.55) KDM1AALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL4254703 0.98 KDM1A (0.54) KDM1AALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL4254701 0.98 KDM1A (0.54) KDM1AALDH1A1KMT2AMEN1HPGD
SCHEMBL4259945 0.93 KDM1A (0.51) KDM1AALDH1A1KMT2AMEN1HPGD
SCHEMBL4259946 0.93 KDM1A (0.51) KDM1AALDH1A1KMT2AMEN1HPGD
SCHEMBL5054677 0.93 KDM1A (0.51) KDM1AALDH1A1KMT2AMEN1HPGD
SCHEMBL2826447 0.80 KDM1A (0.51) KDM1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL1380700 0.80 KDM1A (0.51) KDM1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL4260439 0.80 KDM1A (0.51) KDM1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL1380697 0.80 KDM1A (0.51) KDM1AALDH1A1PDE4APDE4BPDE4C

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
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 WO disclosed