SCHEMBL9879022

SCHEMBL9879022

NC(=O)n1cc2c(n1)-c1ccccc1OC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
ALDH1A1 P00352 13/20 0.42
KDM4E B2RXH2 12/20 0.42
HSD17B10 Q99714 5/20 0.42
ALPL P05186 2/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 8/20 0.41
GAA P10253 5/20 0.41
RCE1 Q9Y256 1/20 0.41
MAPK1 P28482 3/20 0.40
NOTUM Q6P988 1/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL29202204 0.83 PIK3CA (0.42) CAPN1ALDH1A1KDM4EHSD17B10ALPL
SCHEMBL30703081 0.75 DRD4 (0.58) ALDH1A1KDM4EHSD17B10ALPLMAPT
SCHEMBL2706251 0.75 DRD4 (0.58) ALDH1A1KDM4EHSD17B10ALPLMAPT
SCHEMBL182207 0.73 CAPN1 (0.44) CAPN1ALDH1A1KDM4EHSD17B10ALPL
SCHEMBL182119 0.70 MAOA (0.43) CAPN1ALDH1A1KDM4EHSD17B10ALPL
SCHEMBL8578857 0.69 MAPT (0.45) CAPN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL14059503 0.66 KMT2A (0.47) ALDH1A1KDM4EHSD17B10ALPLMAPT
SCHEMBL4815082 0.65 MAPT (0.48) ALDH1A1KDM4EHSD17B10ALPLMAPT
SCHEMBL8580886 0.65 PIK3CA (0.40) CAPN1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2548370 0.65 MAPT (0.62) ALDH1A1KDM4EHSD17B10ALPLMAPT

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
WO-1991012255-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-22 WO disclosed