SCHEMBL17844326

SCHEMBL17844326

C[C@@H](O)c1ccccc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
AKR1C3 P42330 3/20 0.48
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.43
NSD2 O96028 1/20 0.43
TSHR P16473 2/20 0.43
KCNQ2 O43526 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CRHBP P24387 1/20 0.41

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
SCHEMBL1460357 1.00 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL29809671 0.86 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL4547926 0.86 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL1460322 0.85 HTR7 (0.42) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL515194 0.84 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL5337121 0.83 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL21202392 0.83 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL7900203 0.82 GAA (0.49) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL19689735 0.80 DPP4 (0.48) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL20078257 0.79 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1AKR1C3

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-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed