SCHEMBL1738207

SCHEMBL1738207

COc1ccc(-c2nccc3c(C)c(C)n(CC4CO4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ALDH1A1 P00352 5/20 0.39
USP2 O75604 4/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.37
AURKA O14965 1/20 0.37
RET P07949 1/20 0.37
SRC P12931 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CDC25A P30304 1/20 0.37

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 SCHEMBL1736379 0.99 ACHE (0.39) ACHEALDH1A1USP2HTTTDP1
SCHEMBL1737136 0.87 GRIN1 (0.42) ALDH1A1HPGDAXLMERTKPDE3B
Hydrochloric Acid SCHEMBL1737748 0.86 GRIN1 (0.41) ALDH1A1HPGDAXLMERTKPDE3B
SCHEMBL1735949 0.86 GRIN2B (0.36) ALDH1A1USP2HTTTSHRHPGD
SCHEMBL1737411 0.86 MAPK14 (0.42) ALDH1A1USP2TSHRHPGDCYP1A2
SCHEMBL1736687 0.85 NPC1 (0.41) ALDH1A1USP2HTTTDP1HPGD
Hydrochloric Acid SCHEMBL1737825 0.85 GRIN2B (0.36) ALDH1A1USP2HTTTSHRHPGD
Hydrochloric Acid SCHEMBL1735602 0.85 MAPK14 (0.42) ALDH1A1USP2TSHRHPGDCYP1A2
Hydrochloric Acid SCHEMBL1736883 0.84 NPC1 (0.41) ALDH1A1USP2HTTTDP1HPGD
SCHEMBL1738462 0.83 DYRK1A (0.47) ALDH1A1TDP1HPGDPTGS2CYP1A2

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