SCHEMBL11729324

SCHEMBL11729324

c1c2c(nc3c1CCCCC3)CCCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC9A1 P19634 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
EEF2K O00418 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL12507659 1.00 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL529327 0.97 SMN1; SMN2 (0.50) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL12507660 0.94 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL10144361 0.92 PRNP (0.50) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL974373 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL31177107 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PRNPRXFP1KDM4EALDH1A1
SCHEMBL7917387 0.79 MEN1 (0.46) SMN1; SMN2GAAKDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL31648022 0.79 ALOX15 (0.39) SMN1; SMN2PRNPRXFP1GAAKDM4E
SCHEMBL6607763 0.79 CYP3A4 (0.47) SMN1; SMN2GAAALOX15POLBADRA2A
SCHEMBL20682503 0.78 PRNP (0.38) SMN1; SMN2PRNPRXFP1KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831167-B1 LIQUID PHASE PROCESS FOR THE SYNTHESIS OF ANNULATED PYRIDINES OVER ZEOLITE TYPE MOLECULAR SIEVE CATALYSTS COUNCIL SCIENT IND RES (IN) 2011-07-13 EP disclosed
US-7491828-B2 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-02-17 US disclosed
US-7491828-B2 Liquid phase process for the synthesis of annulated pyridines over molecular sieve catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-02-17 US disclosed
US-4011226-A ANTIULCER JOHN WYETH & BROTHER LIMITED (EN) 1977-03-08 US disclosed