SCHEMBL7830488

SCHEMBL7830488

CCCc1c(O)ccc2c1c1cc3c(C(=O)OCC)nccc3c(C)c1n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GAA P10253 7/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL7842557 0.88 GAA (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8545879 0.82 GAA (0.47) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL7842528 0.82 KIT (0.38) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL9089933 0.79 BCHE (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29445183 0.79 BCHE (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7840124 0.75 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7841083 0.72 ALDH1A1 (0.38) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL8390257 0.72 KIT (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL8394662 0.71 KMT2A (0.37) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL8548702 0.71 LMNA (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850939-B1 Ellipticine derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-05-09 EP disclosed
US-5919791-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0850939-A1 Ellipticine derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-07-01 EP disclosed