SCHEMBL7826328

SCHEMBL7826328

CN1/C(=C/C=C/C=N/c2ccc(C(=O)O)cc2)Sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 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
SCHEMBL7826330 1.00 MAPT (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10998038 0.79 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10998037 0.79 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7825843 0.72 CA2 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14435900 0.69 ALDH1A1 (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10621154 0.68 ALDH1A1 (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10621158 0.68 ALDH1A1 (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL52224 0.68 RAB9A (0.76) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29554643 0.68 RAB9A (0.76) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3777551 0.68 RAB9A (0.76) MAPTNPC1RAB9AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed