SCHEMBL7940047

SCHEMBL7940047

CCCCN(CCCC)c1nc(Cl)nc2c(N(CCCC)CCCC)nc(Cl)nc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CRHR1 P34998 14/20 0.35
SLC29A1 Q99808 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL10502149 0.82 HTT (0.40) HTTNCOA1SMN1; SMN2NCOA3CRHR1
SCHEMBL7930932 0.79 SLC29A1 (0.47) HTTSMN1; SMN2SLC29A1KDM4EKMT2A
SCHEMBL10502629 0.78 CYP1A2 (0.39) HTTNCOA1SMN1; SMN2NCOA3CRHR1
SCHEMBL7939933 0.76 DNM1 (0.39) CRHR1MAPTKMT2A
SCHEMBL10803771 0.75 MAPT (0.40) SMN1; SMN2CRHR1SLC29A1MAPTNPSR1
SCHEMBL523376 0.75 MAPT (0.42) SMN1; SMN2CRHR1SLC29A1MAPTNPSR1
SCHEMBL10502321 0.71 PDE1B (0.42) HTTNCOA1SMN1; SMN2NCOA3CRHR1
SCHEMBL11469164 0.69 CRHR1 (0.49) SMN1; SMN2CRHR1SLC29A1MAPT
SCHEMBL18826085 0.68 MAT2A (0.35)
SCHEMBL9487776 0.68 MAPT (0.38) SMN1; SMN2CRHR1SLC29A1MAPTNPSR1

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-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed