SCHEMBL7398287

SCHEMBL7398287

COc1nc(N)cc(C)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.53
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL17163990 0.86 POLB (0.71) POLBALDH1A1KMT2AKDM4EMAPT
SCHEMBL11607443 0.82 ALDH1A1 (0.59) POLBMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8248507 0.81 ALDH1A1 (0.42) POLBMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2128678 0.79 ALDH1A1 (0.56) POLBMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL31199000 0.79 ALDH1A1 (0.56) POLBMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL20454667 0.77 ALDH1A1 (0.67) POLBMAPK1ALDH1A1SMN1; SMN2GABRP
SCHEMBL2097253 0.76 POLB (0.45) POLBMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25331044 0.72 POLB (0.57) POLBMAPK1ALDH1A1SMN1; SMN2KDM4E
Nitrous Acid SCHEMBL28169416 0.72 ALDH1A1 (0.47) POLBMAPK1ALDH1A1SMN1; SMN2GABRP
SCHEMBL27611644 0.71 ALDH1A1 (0.46) POLBMAPK1ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696129-A TREATING GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-09 US disclosed
EP-0662959-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-07-19 EP disclosed
EP-0611370-A1 PYRIDINE-3-CARBOXYLIC ACID ESTERS OR AMIDES USEFUL AS 5-HT 3? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-08-24 EP disclosed
WO-1994007859-A1 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-14 WO disclosed
WO-1993008186-A1 PYRIDINE-3-CARBOXYLIC ACID ESTERS OR AMIDES USEFUL AS 5-HT3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-04-29 WO disclosed