SCHEMBL8634032

SCHEMBL8634032

Cc1cccc(C(O)c2ocnc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
KDM5A P29375 1/20 0.37
ACP3 P15309 1/20 0.36
ACHE P22303 2/20 0.36
EPHX1 P07099 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 5/20 0.34
CREBBP Q92793 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9026606 0.88 ALOX5 (0.35) IMPDH2KDM5AEPHX1ALDH1A1MAPT
SCHEMBL8632709 0.83 KDM4E (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2BRD4
SCHEMBL8633722 0.80 BRD4 (0.41) ACHEALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL822105 0.75 ACHE (0.52) KDM5AACP3ACHEEPHX1IDO1
SCHEMBL8636185 0.74 BRD4 (0.43) ALDH1A1MAPTMAPK1SMN1; SMN2BRD4
SCHEMBL9026465 0.73 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2BRD4
SCHEMBL8632301 0.71 GAA (0.44) ACP3IDO1TDO2ALDH1A1MAPT
SCHEMBL18292866 0.70 IDO1 (0.40) KDM5AACP3ACHEEPHX1IDO1
SCHEMBL477409 0.70 ACP3 (0.55) ACP3ACHEEPHX1SMN1; SMN2OPRM1
SCHEMBL30502803 0.70 ACP3 (0.55) ACP3ACHEEPHX1SMN1; SMN2OPRM1

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
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed