SCHEMBL9761784

SCHEMBL9761784

COc1cc(OC)nc(Oc2cccc(Cl)c2N)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL8341283 0.82 L3MBTL1 (0.46) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL9683719 0.78 NPSR1 (0.55) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8939116 0.77 NPSR1 (0.60) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL8939153 0.77 NPSR1 (0.60) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9598158 0.77 L3MBTL1 (0.55) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9597845 0.76 L3MBTL1 (0.50) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9873475 0.76 NPSR1 (0.59) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9045943 0.76 NPSR1 (0.62) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622844 0.75 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622225 0.75 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9

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
US-5024693-A Pre- and postemergent SCHERING AGROCHEMICALS LTD. (GB) 1991-06-18 US disclosed
EP-0363040-A2 Herbicides AgrEvo UK Limited (GB) 1990-04-11 EP disclosed