SCHEMBL2772687

SCHEMBL2772687

Cc1c(C)n(Cc2ccc3c(c2)OCCO3)c2c(N3CCc4ccccc4C3)cncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 9/20 0.36
WDR77 Q9BQA1 9/20 0.36
RECQL P46063 1/20 0.35
GRIN2D O15399 1/20 0.35

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 SCHEMBL2769634 0.99 ALDH1A1 (0.38) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL2768698 0.85 GRIN2D (0.38) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL2769222 0.85 GRIN2D (0.42) TSHRALDH1A1HSD17B10USP2ALOX15
Hydrochloric Acid SCHEMBL2769473 0.84 GRIN2D (0.37) TSHRALDH1A1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL2770113 0.84 GRIN2D (0.41) TSHRALDH1A1HSD17B10USP2ALOX15
SCHEMBL2769105 0.83 HSD17B10 (0.41) TSHRALDH1A1MAPK1HSD17B10NPC1
SCHEMBL15104274 0.83 GRIN2D (0.40) TSHRALDH1A1MAPK1HSD17B10LMNA
Hydrochloric Acid SCHEMBL2768812 0.82 HSD17B10 (0.41) TSHRALDH1A1MAPK1HSD17B10NPC1
Hydrochloric Acid SCHEMBL3595126 0.82 GRIN2D (0.39) TSHRALDH1A1MAPK1HSD17B10LMNA
SCHEMBL2769005 0.80 MAPT (0.41) ALDH1A1MAPK1MAPTPRMT5WDR77

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-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP claimed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP claimed