SCHEMBL2317565

SCHEMBL2317565

Cc1c(C)n(Cc2ccccc2F)c2ccnc(N3CCc4ccccc4C3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
PKM P14618 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
GRIN2D O15399 7/20 0.41
GRIN3B O60391 7/20 0.41
GRIN1 Q05586 7/20 0.41
GRIN2A Q12879 7/20 0.41
GRIN2B Q13224 7/20 0.41
GRIN2C Q14957 7/20 0.41
GRIN3A Q8TCU5 7/20 0.41
KDM4E B2RXH2 4/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37

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
Hydrochloric Acid SCHEMBL437190 0.99 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PKMTSHRMAPT
SCHEMBL2318055 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMTSHRMAPT
Hydrochloric Acid SCHEMBL440015 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PKMTSHRMAPT
SCHEMBL2318851 0.86 KDM4E (0.43) SMN1; SMN2ALDH1A1PKMTSHRMAPT
SCHEMBL2318185 0.85 KDM4E (0.46) SMN1; SMN2ALDH1A1PKMTSHRMAPT
Hydrochloric Acid SCHEMBL436294 0.85 KDM4E (0.43) SMN1; SMN2ALDH1A1PKMTSHRMAPT
Hydrochloric Acid SCHEMBL439449 0.85 KDM4E (0.45) SMN1; SMN2ALDH1A1PKMTSHRMAPT
SCHEMBL2314164 0.84 GRIN2D (0.47) SMN1; SMN2ALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL1737264 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1PKMTSHRMAPT
SCHEMBL2316108 0.84 GRIN2D (0.47) SMN1; SMN2ALDH1A1PKMTSHRMAPT

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
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed