SCHEMBL1737580

SCHEMBL1737580

CCOCCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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 SCHEMBL1737646 0.99 MAPK14 (0.32) MAPK14SLC6A9MAPK13MAPK12MAPK11
SCHEMBL1738214 0.90 MAPK14 (0.35) MAPK14ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1737721 0.89 MAPK14 (0.35) MAPK14ALDH1A1RAB9A
SCHEMBL1735566 0.88 ALDH1A1 (0.33) MAPK14MAPK13MAPK12MAPK11ALDH1A1
Hydrochloric Acid SCHEMBL1739430 0.87 ALDH1A1 (0.32) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1739311 0.86 MAPT (0.32) MAPK14
Hydrochloric Acid SCHEMBL1736865 0.85 MAPT (0.32)
SCHEMBL1736207 0.82 MCL1 (0.36) ALDH1A1LMNARAB9A
SCHEMBL5806035 0.82 SSTR4 (0.34) SLC6A9
SCHEMBL1737328 0.81 DHFR (0.32) SMN1; SMN2ALDH1A1LMNA

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
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed