SCHEMBL5797265

SCHEMBL5797265

CC(C)CCOc1ncccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ATM Q13315 1/20 0.47
LTA4H P09960 1/20 0.45
MAPT P10636 5/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 4/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL27924590 0.93 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5797530 0.85 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL31701918 0.83 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23343548 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8564326 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL27829038 0.81 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1345767 0.81 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2368431 0.80 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19172851 0.80 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6376744 0.80 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed