SCHEMBL5747832

SCHEMBL5747832

CCc1cccc2[c]ccnc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HTR1A P08908 1/20 0.36
TLR8 Q9NR97 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.31
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SLC40A1 Q9NP59 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
SCHEMBL5748220 0.81 LIPG (0.41) TLR8L3MBTL1TDP1KCNH2
SCHEMBL5750628 0.81 LIPG (0.41) TLR8L3MBTL1TDP1KCNH2
SCHEMBL5749865 0.81 LIPG (0.41) TLR8L3MBTL1TDP1KCNH2
SCHEMBL4465618 0.76 HTR1A (0.40) HTR1ALMNAL3MBTL1KDM4EGAA
SCHEMBL27167448 0.72 SMN1; SMN2 (0.33) LMNASMN1; SMN2KDM4EMAPTTDP1
SCHEMBL855198 0.72 PARP1 (0.33) LMNASMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL8467497 0.72 METAP2 (0.48) LMNASMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL3896844 0.72 NR4A2 (0.43) TAAR1HTR1ALMNASMN1; SMN2L3MBTL1
SCHEMBL942952 0.71 HTR1A (0.44) HTR1ALMNASMN1; SMN2MAPTTDP1
SCHEMBL5749594 0.71 CCR1 (0.40) LMNASMN1; SMN2L3MBTL1KDM4ENPSR1

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed