SCHEMBL5774480

SCHEMBL5774480

Cc1nc(C2CCNCC2)c2nc(-c3ccccc3)c(Br)c-2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLAT P00750 3/20 0.42
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
NSD3 Q9BZ95 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK14 Q16539 3/20 0.37
KDM1A O60341 1/20 0.37
HPGDS O60760 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 SCHEMBL5776951 0.99 KDM4E (0.43) KDM4EHPGDSMN1; SMN2PLATGABRA1
Hydrochloric Acid SCHEMBL5775248 0.85 KDM4E (0.44) KDM4EHPGDSMN1; SMN2PLATGABRA1
Hydrochloric Acid SCHEMBL5807137 0.84 KDM4E (0.43) KDM4EHPGDSMN1; SMN2PLATGABRA1
Hydrochloric Acid SCHEMBL5773701 0.84 KDM4E (0.47) KDM4EHPGDSMN1; SMN2PLATGABRA1
SCHEMBL5775115 0.76 USP7 (0.41) KDM4EHPGDSMN1; SMN2GABRA1GABRB2
SCHEMBL5774851 0.76 MAPK14 (0.48) PLATGABRA1GABRB2HTR2CHTR2A
SCHEMBL5776632 0.75 GABRA1 (0.42) GABRA1GABRB2SLC18A3SIGMAR1
SCHEMBL5777830 0.74 SLC6A2 (0.43) KDM4EHPGDSMN1; SMN2GABRA1HTR2C
SCHEMBL8125046 0.74 MEN1 (0.44) PLATGABRA1GABRB2HTR2CHTR2A
SCHEMBL5774467 0.71 TLR9 (0.37) KCNH2MAPK14MAPK13RAF1MAPK9

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed