SCHEMBL22499985

SCHEMBL22499985

NCc1ccc(O)c(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
ABAT P80404 1/20 0.48
ENPP2 Q13822 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 2/20 0.45
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
DRD4 P21917 2/20 0.45
DRD5 P21918 2/20 0.45
SLC6A2 P23975 2/20 0.45
DRD3 P35462 2/20 0.45
RECQL P46063 2/20 0.45
SLC6A3 Q01959 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL16021957 0.86 BACE1 (0.48) BACE1ABATGABRA1GABRB2MAPT
SCHEMBL13513525 0.85 BACE1 (0.72) BACE1ABATENPP2GABRA1GABRB2
SCHEMBL17092540 0.85 BACE1 (0.61) BACE1GABRA1GABRB2MAPTMAPK1
SCHEMBL30473664 0.85 BACE1 (0.61) BACE1GABRA1GABRB2MAPTMAPK1
Hydrochloric Acid SCHEMBL7409766 0.83 BACE1 (0.59) BACE1GABRA1GABRB2MAPTMAPK1
SCHEMBL24176989 0.81 BACE1 (0.62) BACE1GABRA1GABRB2MAPTMAPK1
SCHEMBL110644 0.80 KDM4E (0.67) BACE1ABATMAPTMAPK1KDM4E
SCHEMBL29359577 0.80 KDM4E (0.67) BACE1ABATMAPTMAPK1KDM4E
SCHEMBL11791014 0.80 GAA (0.53) BACE1MAPTKDM4ETDP1ALDH1A1
SCHEMBL19467899 0.80 GABRA1 (0.50) BACE1GABRA1GABRB2MAPTMAPK1

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
WO-2024177097-A1 HYDROXYL GROUP-CONTAINING POLYAMIDE RESIN COMPOSITION, LAMINATE, PACKAGING MATERIAL, AND GAS BARRIER MATERIAL 東洋紡株式会社 2024-08-29 WO disclosed
WO-2020203818-A1 ASBESTOS DETECTING AGENT, ASBESTOS DETECTING KIT, AND ASBESTOS DETECTING METHOD 広島県 2020-10-08 WO disclosed
CN-1321727-C Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2007-06-20 CN disclosed
CN-1631500-A Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2005-06-29 CN disclosed