SCHEMBL2369167

SCHEMBL2369167

[CH](c1ccccn1)c1ncnc2scc(C3CCCCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
PIP4K2C Q8TBX8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
LMNA P02545 3/20 0.35
GFER P55789 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TNF P01375 1/20 0.33
MAPK1 P28482 1/20 0.33
NOD1 Q9Y239 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL2368844 0.77 ALDH1A1 (0.40) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL5804191 0.75 FGFR1 (0.56) HTTSMN1; SMN2POLBPIP4K2CTP53
SCHEMBL3385254 0.75 PIP4K2C (0.35) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL3385257 0.72 TNF (0.61) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL2369147 0.70 MAPT (0.49) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL2369456 0.67 NPSR1 (0.37) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL2369434 0.64 PIP4K2C (0.35) HTTSMN1; SMN2NPSR1POLBPIP4K2C
SCHEMBL2369895 0.63 ATM (0.37) HTTSMN1; SMN2TNFMAPK1NOD1
SCHEMBL2369144 0.60 CAMKK1 (0.36) HTTSMN1; SMN2PIP4K2CKMT2AESR1
SCHEMBL2368832 0.60 GAA (0.52) HTTSMN1; SMN2NPSR1ALDH1A1HPGD

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-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed