SCHEMBL27604183

SCHEMBL27604183

CCCC(=N)c1cc(C)nc2cc(O)c(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL27604028 0.99 ATM (0.37) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27604071 0.83 KDM4E (0.34) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27550352 0.79 ALDH1A1 (0.59) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27586210 0.77 KDM4E (0.38) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27721451 0.76 KDM4E (0.35) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27525080 0.73 KDM4E (0.35) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL27550358 0.72 LMNA (0.40) ATMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24658982 0.71 MAPT (0.53) HPGDCYP1A2POLBL3MBTL1
SCHEMBL27471414 0.70 CCR6 (0.43) KDM4ECYP1A2L3MBTL1
SCHEMBL27525093 0.70 DGAT1 (0.43) KDM4EGAAHPGDSMN1; SMN2L3MBTL1

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
CN-100376557-C Quinoline derivatives as ligands for neuropeptide Y receptors HOFFMANN LA ROCHE (CH) 2008-03-26 CN disclosed
CN-1522249-A Quinoline derivatives as ligands for neuropeptide Y receptors 2004-08-18 CN disclosed