SCHEMBL4846593

SCHEMBL4846593

CONc1nc(N)nc(N2CCCCCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.42
PTGS2 P35354 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
SCHEMBL10494023 0.78 SMN1; SMN2 (0.58) HTTSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL5033361 0.78 ALDH1A1 (0.54) HTTSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL4445737 0.78 ALDH1A1 (0.54) HTTSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL23175172 0.76 MEN1 (0.47) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL7080717 0.75 HTT (0.65) HTTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL21325614 0.75 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1
SCHEMBL6720059 0.75 KCNH3 (0.38) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4630998 0.75 CA1 (0.34) HTTSMN1; SMN2LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL31046022 0.73 HRH1 (0.54) HTTSMN1; SMN2MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL31046080 0.73 ALDH1A1 (0.50) HTTSMN1; SMN2KMT2AALDH1A1

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-7339017-B2 Acryl-modified polyester resin composition and method of preparing the same DPI CO., LTD. (KR) 2008-03-04 US disclosed
US-20040152856-A1 Acryl-modified polyester resin composition and method of preparing the same NOROO PAINT & COATINGS CO., LTD. (KR) 2004-08-05 US disclosed