SCHEMBL7839102

SCHEMBL7839102

Cc1c(O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
FGFR3 P22607 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
PARP1 P09874 1/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGIR P43119 1/20 0.35
HTT P42858 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
SCHEMBL7841083 0.91 ALDH1A1 (0.38) POLBKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8394662 0.90 KMT2A (0.37) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7842528 0.90 KIT (0.38) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7839222 0.88 POLB (0.36) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29371790 0.86 KIT (0.45) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28056 0.86 KIT (0.45) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29435144 0.86 KIT (0.45) POLBKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL29613355 0.85 KIT (0.45) POLBKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5953239 0.85 KIT (0.45) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27118310 0.85 POLB (0.46) POLBKDM4EALDH1A1HPGDHSD17B10

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 5 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 claimed
US-5919791-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1999-07-06 US claimed
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