SCHEMBL1737619

SCHEMBL1737619

Cc1ccc(OCc2nccc3c(C)c(C)n(Cc4cc(C)ccc4C)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
TNF P01375 1/20 0.36
TP53 P04637 5/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
DYRK1A Q13627 1/20 0.33
THRB P10828 1/20 0.33
PDE10A Q9Y233 2/20 0.33
ALOX5AP P20292 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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 SCHEMBL1736548 0.99 TSHR (0.35) TSHRTNFTP53MAPTMEN1
SCHEMBL1738479 0.89 TP53 (0.44) TSHRTP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1735838 0.88 TP53 (0.43) TSHRTP53MAPTMEN1KMT2A
SCHEMBL1737594 0.85 HRH3 (0.41) TP53MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1735552 0.84 HRH3 (0.40) TP53MAPTMEN1KMT2ALMNA
SCHEMBL1737088 0.83 MAPT (0.46) TP53MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1737118 0.83 MAPT (0.45) TP53MAPTMEN1KMT2ALMNA
SCHEMBL1739295 0.82 RAB9A (0.45) TSHRTP53MAPTMEN1KMT2A
SCHEMBL1737080 0.82 DYRK1A (0.48) TSHRTP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1737677 0.81 RAB9A (0.44) TSHRTP53MAPTMEN1KMT2A

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