SCHEMBL1738007

SCHEMBL1738007

CCOCCn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 4/20 0.36
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 3/20 0.34
CACNA1B Q00975 3/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
BRD4 O60885 1/20 0.33
SLC6A9 P48067 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
MAPK14 Q16539 2/20 0.32

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 SCHEMBL1736327 0.99 MAPT (0.35) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1738965 0.89 MAPT (0.37) MAPTSMN1; SMN2TP53RAB9AKMT2A
Hydrochloric Acid SCHEMBL1735331 0.88 MAPT (0.36) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1737369 0.88 RAB9A (0.38) MAPTSMN1; SMN2TP53RAB9AKMT2A
Hydrochloric Acid SCHEMBL1736130 0.87 RAB9A (0.37) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1735325 0.86 GAA (0.38) MAPTSMN1; SMN2TP53RAB9AKMT2A
Hydrochloric Acid SCHEMBL1737751 0.85 GAA (0.38) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1738347 0.81 RAB9A (0.40) MAPTSMN1; SMN2TP53RAB9AKMT2A
SCHEMBL1737580 0.80 MAPK14 (0.33) SMN1; SMN2RAB9ALMNASLC6A9ALDH1A1
Hydrochloric Acid SCHEMBL1737585 0.80 RAB9A (0.39) MAPTSMN1; SMN2TP53RAB9AKMT2A

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