SCHEMBL11650747

SCHEMBL11650747

COc1cc(N)n(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNN4 O15554 1/20 0.40
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1817147 0.79 CYP1A2 (0.59) SMN1; SMN2PDE4BALDH1A1MAPTOPRM1
SCHEMBL11654832 0.77 CYP1A2 (0.61) SMN1; SMN2ALDH1A1MAPTTP53NPC1
SCHEMBL29397663 0.75 MAPK14 (0.43) FLT3SMN1; SMN2MAPK11MAPK14PDE4B
SCHEMBL1011502 0.75 MAPK14 (0.43) FLT3SMN1; SMN2MAPK11MAPK14PDE4B
SCHEMBL11656306 0.74 LMNA (0.51) SMN1; SMN2ALDH1A1MAPTTP53NPC1
SCHEMBL6676733 0.72 RXRA (0.50) TMEM97SIGMAR1
SCHEMBL2318517 0.72 KDM4E (0.40) FLT3SMN1; SMN2MAPK11MAPK14PDE4B
SCHEMBL12361530 0.72 RXRA (0.43) FLT3MAPK11MAPK14KCNN4SLC16A3
SCHEMBL27836980 0.71 CNR2 (0.46) SMN1; SMN2MAPK14PDE4BALDH1A1OPRM1
SCHEMBL14357204 0.70 PDE4B (0.62) SMN1; SMN2PDE4BALDH1A1MAPTTP53

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-4097475-A FOR POLYESTERS AND BLENDS WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-27 US disclosed