SCHEMBL1738965

SCHEMBL1738965

COCCn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
TP53 P04637 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 6/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 2/20 0.36
NR2F2 P24468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MAPK14 Q16539 5/20 0.34
USP2 O75604 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KCNH3 Q9ULD8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.34
MPI P34949 1/20 0.34

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 SCHEMBL1735331 0.99 MAPT (0.36) MAPTTP53SMN1; SMN2KMT2ARAB9A
SCHEMBL1738007 0.89 MAPT (0.36) MAPTTP53SMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736327 0.89 MAPT (0.35) MAPTTP53SMN1; SMN2KMT2ARAB9A
SCHEMBL1737369 0.88 RAB9A (0.38) MAPTTP53SMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736130 0.87 RAB9A (0.37) MAPTTP53SMN1; SMN2KMT2ARAB9A
SCHEMBL1735325 0.85 GAA (0.38) MAPTTP53SMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL1737751 0.84 GAA (0.38) MAPTTP53SMN1; SMN2KMT2ARAB9A
SCHEMBL1739067 0.83 RAB9A (0.41) MAPTTP53KMT2ARAB9AMEN1
SCHEMBL1738347 0.83 RAB9A (0.40) MAPTTP53SMN1; SMN2KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736057 0.82 RAB9A (0.40) MAPTTP53KMT2ARAB9AMEN1

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