SCHEMBL1737416

SCHEMBL1737416

Cc1ccc(OCc2nccc3c(C)c(C)n(Cc4ccc(F)cc4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HRH3 Q9Y5N1 1/20 0.38
DYRK1A Q13627 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.37
RGS4 P49798 2/20 0.37
RGS8 P57771 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MCL1 Q07820 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
RGS16 O15492 1/20 0.36

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
SCHEMBL1738968 1.00 MAPT (0.41) MAPTHRH3DYRK1AGAANPSR1
Hydrochloric Acid SCHEMBL1736162 0.99 MAPT (0.40) MAPTHRH3DYRK1AGAANPSR1
Hydrochloric Acid SCHEMBL1737020 0.99 MAPT (0.40) MAPTHRH3DYRK1AGAANPSR1
SCHEMBL1736156 0.96 MAPT (0.42) MAPTHRH3DYRK1ANPSR1TP53
Hydrochloric Acid SCHEMBL1736249 0.95 MAPT (0.42) MAPTHRH3DYRK1ANPSR1TP53
SCHEMBL1737594 0.95 HRH3 (0.41) MAPTHRH3DYRK1AGAANPSR1
Hydrochloric Acid SCHEMBL1735552 0.94 HRH3 (0.40) MAPTHRH3DYRK1AGAANPSR1
SCHEMBL1738711 0.92 MAPT (0.41) MAPTDYRK1ATP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736702 0.91 MAPT (0.40) MAPTDYRK1ATP53CYP1A2CYP3A4
SCHEMBL1735940 0.91 DYRK1A (0.47) MAPTDYRK1AGAANPSR1TP53

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