SCHEMBL11263223

SCHEMBL11263223

Cc1nc(C(I)[N+](C)(C)C)c2ccccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR4 Q13639 1/20 0.33
LMNA P02545 1/20 0.33
SSTR4 P31391 1/20 0.33
HAT1 O14929 2/20 0.32
EP300 Q09472 2/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
DRD4 P21917 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL18878436 0.78 HTR4 (0.44) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL18891540 0.73 LMNA (0.41) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL8234959 0.70 PTPN1 (0.60) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL20674534 0.69 PTPN2 (0.44) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL13377445 0.68 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL22276461 0.68 HTR4 (0.39) HTR4
SCHEMBL17520300 0.67 PTPN2 (0.43) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL19100335 0.67 PTPN1 (0.43) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL22339347 0.66 SSTR4 (0.48) PTPN2PTPN1ALDH1A1MAPTKDM4E
SCHEMBL18032960 0.65 DRD4 (0.41) PTPN2PTPN1ALDH1A1MAPTKDM4E

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
US-4361567-A IMIDAZO(1,5-A)PYRIDINES SCHERING CORPORATION (US) 1982-11-30 US disclosed