SCHEMBL7788094

SCHEMBL7788094

N#Cc1nccc(O)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 2/20 0.32
APBA1 Q02410 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CA2 P00918 2/20 0.31
CA6 P23280 2/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP11B1 P15538 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL19798237 0.78 GSK3A (0.33) PLCG1KDM4CCYP11B1
SCHEMBL4385911 0.78 ALDH1A1 (0.36) PLCG1ALDH1A1MAPTGAALMNA
SCHEMBL17416894 0.78 MEN1 (0.39) PLCG1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL1972185 0.78 EGLN2 (0.34) PLCG1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL4385912 0.78 PLCG1 (0.35) PLCG1MAPTKDM4EKDM4CMAPK1
SCHEMBL30527748 0.78 MEN1 (0.39) PLCG1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL19774234 0.74 NOS3 (0.35) PLCG1ALDH1A1KDM4ECYP11B1PKM
SCHEMBL16238340 0.74 CCR1 (0.41) PLCG1ALDH1A1MAPTCACNA1BAPBA1
SCHEMBL17416877 0.74 ALDH1A1 (0.42) PLCG1ALDH1A1MAPTKDM4EMEN1
SCHEMBL304561 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968189-B1 PROCESS FOR THE PREPARATION OF NICOTINIC ACIDS ABBOTT LAB (US) 2001-11-07 EP disclosed
EP-0968189-A1 PROCESS FOR THE PREPARATION OF NICOTINIC ACIDS Abbott Laboratories (US) 2000-01-05 EP disclosed
WO-1998039298-A1 PROCESS FOR THE PREPARATION OF NICOTINIC ACIDS ABBOTT LABORATORIES (US) 1998-09-11 WO disclosed
US-5739342-A Process for the preparation of nicotinic acids ABBOTT LABORATORIES (US) 1998-04-14 US disclosed