SCHEMBL9044874

SCHEMBL9044874

CCOC(=O)c1c[nH]c2c(-c3ccc(F)cn3)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK1A Q13627 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CLEC4M Q9H2X3 1/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL9058190 0.87 KDM4E (0.44) CYP1A2KMT2AMEN1KDM4EMAPT
SCHEMBL6902966 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL9045293 0.86 KDM4E (0.45) CYP1A2KMT2AMEN1KDM4EMAPT
SCHEMBL9044591 0.79 KDM4E (0.46) CYP2C19KMT2AMEN1KDM4EMAPT
SCHEMBL6903795 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL9057379 0.78 KDM4E (0.45) CYP2C19KMT2AMEN1KDM4EMAPT
SCHEMBL8135128 0.77 KMT2A (0.49) CYP2C19DYRK1AKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL9056392 0.77 KDM4E (0.51) CYP2C19KMT2AMEN1KDM4EMAPT
SCHEMBL11016278 0.74 KDM4E (0.48) CYP1A2KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL9047845 0.73 KDM4E (0.40) KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed