SCHEMBL22138665

SCHEMBL22138665

Bc1ccc2oc3cnccc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.37
TDO2 P48775 11/20 0.36
IDO1 P14902 7/20 0.36
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15836092 0.81 TDO2 (0.38) ROCK2TDO2IDO1NPC1MAPT
SCHEMBL15835990 0.81 TDO2 (0.38) ROCK2TDO2IDO1NPC1MAPT
SCHEMBL25497629 0.80 CDK4 (0.41) KDM4E
SCHEMBL11885001 0.80 IDO1 (0.46) ROCK2TDO2IDO1
SCHEMBL10123835 0.80 AHR (0.41) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL15631616 0.79 CHUK (0.47) ROCK2TDO2IDO1NPC1ALDH1A1
SCHEMBL17490042 0.79 NPC1 (0.59) TDO2IDO1NPC1MAPTKDM4E
SCHEMBL24056889 0.79 AHR (0.55) ROCK2TDO2IDO1NPC1KDM4E
SCHEMBL13509559 0.79 TDO2 (0.49) ROCK2TDO2IDO1NPC1MAPT
SCHEMBL25494825 0.77 KDM4E (0.32) MAPTKDM4EHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318566-B1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2020-06-24 EP disclosed