SCHEMBL9705531

SCHEMBL9705531

CCOC(=O)c1cn2c3c(c(N4CC(C)N(C)C(C)C4)c(Cl)cc3c1=O)C(=O)CC2C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C19 P33261 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAPDH P04406 1/20 0.33

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
SCHEMBL9703747 0.89 KDM4E (0.43) HPGDKDM4ECYP2C19POLBADRB2
SCHEMBL9703806 0.89 KMT2A (0.43) HPGDKDM4EBAZ2BBAZ2APOLB
SCHEMBL9703079 0.87 KDM4E (0.42) HPGDKDM4EPOLBALDH1A1LMNA
SCHEMBL9704661 0.87 DYRK1A (0.39) HPGDKDM4ECYP2C19BAZ2BBAZ2A
SCHEMBL9703286 0.86 HPGD (0.44) HPGDKDM4ECYP2C19BAZ2BBAZ2A
SCHEMBL9704619 0.85 BAZ2B (0.40) HPGDKDM4ECYP2C19BAZ2BBAZ2A
SCHEMBL9703878 0.80 KDM4E (0.43) HPGDKDM4ECYP2C19POLBADRB2
SCHEMBL9703781 0.79 ADRB2 (0.46) HPGDKDM4ECYP2C19POLBADRB2
SCHEMBL9703871 0.79 KDM4E (0.53) HPGDKDM4EPOLBADRB2ALDH1A1
SCHEMBL9705523 0.78 ADRB2 (0.42) HPGDKDM4ECYP2C19POLBADRB2

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-0203795-B1 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1992-07-29 EP disclosed
US-4720495-A Benzo[ij]quinolizine-2-carboxylic acids useful for treating bacterial infection TOKYO TANABE CO. LIMITED (JP) 1988-01-19 US disclosed