SCHEMBL5750951

SCHEMBL5750951

CCCCCCCCCCc1ccnc(Nc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.44
NR3C2 P08235 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
KCNH2 Q12809 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GPR3 P46089 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL5748767 1.00 KCNH3 (0.44) KCNH3NR3C2KDM4EMAPTLMNA
SCHEMBL5749197 1.00 KCNH3 (0.44) KCNH3NR3C2KDM4EMAPTLMNA
SCHEMBL5746928 0.94 NR3C2 (0.43) KCNH3NR3C2MAPTLMNASMN1; SMN2
SCHEMBL5748770 0.89 LMNA (0.42) KDM4ELMNAHTTSMN1; SMN2TDP1
SCHEMBL5748107 0.88 NR3C2 (0.46) NR3C2KDM4EMAPTLMNAHTT
SCHEMBL5750234 0.87 TDP1 (0.52) LMNAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL5748565 0.86 ALOX12 (0.45) NR3C2KDM4EHTTSMN1; SMN2MAPK10
SCHEMBL5747136 0.85 RIOK2 (0.46) NR3C2KDM4EMAPTLMNASMN1; SMN2
SCHEMBL5771528 0.84 RIOK2 (0.42) NR3C2KDM4EMAPTLMNASMN1; SMN2
SCHEMBL5773999 0.84 RIOK2 (0.42) NR3C2KDM4EMAPTLMNASMN1; SMN2

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