SCHEMBL6441610

SCHEMBL6441610

COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1N=C2c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
MAPK1 P28482 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PDE4D Q08499 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL6441614 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL6441615 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDPIK3R1PIK3CA
SCHEMBL6441844 0.82 PDE4D (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6441838 0.82 PDE4D (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6441834 0.82 PDE4D (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6442306 0.81 PDE4D (0.37) KDM4EMEN1KMT2APDE4DPDE4A
SCHEMBL6442302 0.81 PDE4D (0.37) KDM4EMEN1KMT2APDE4DPDE4A
SCHEMBL6442311 0.81 PDE4D (0.37) KDM4EMEN1KMT2APDE4DPDE4A
SCHEMBL6442566 0.80 LMNA (0.39) ALDH1A1KDM4EHPGDKMT2ATP53
SCHEMBL6442562 0.80 LMNA (0.39) ALDH1A1KDM4EHPGDKMT2ATP53

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-1303506-B1 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-02 EP claimed
EP-1303506-B1 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-02 EP disclosed