SCHEMBL7288161

SCHEMBL7288161

[O-][S+](CCO)c1nc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 1/20 0.41
DDAH1 O94760 1/20 0.41
POLB P06746 1/20 0.41
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
BCHE P06276 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
SCHEMBL7354306 0.89 EPHX2 (0.47) EPHX2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7351165 0.88 EPHX2 (0.46) EPHX2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7289169 0.87 RAB9A (0.46) EPHX2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7288152 0.84 NPC1 (0.43) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL9509188 0.81 RAB9A (0.54) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL10867335 0.80 ACHE (0.50) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL7289458 0.80 DDAH1 (0.41) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL9560922 0.80 DDAH1 (0.51) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL7289165 0.80 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4EABCB11
SCHEMBL9422145 0.79 DDAH1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed