SCHEMBL9840193

SCHEMBL9840193

CCCC[Sn](CCCC)(CCCCc1ccc(OC)cc1)c1cnc2n1CCC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 2/20 0.40
HRH3 Q9Y5N1 2/20 0.37
GRM2 Q14416 1/20 0.36
THRB P10828 1/20 0.36
NPBWR1 P48145 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL9197916 0.70 ATM (0.58) MAPTTHRBATMNPC1RAB9A
SCHEMBL10568997 0.66 CASP3 (0.63) CASP3SENP8SENP7SENP6MAPT
SCHEMBL10569250 0.66 CALM1 (0.62) CASP3SENP8SENP7SENP6MAPT
SCHEMBL581719 0.66 CASP3 (0.63) CASP3SENP8SENP7SENP6MAPT
SCHEMBL30928708 0.65 NPC1 (0.35) HRH3NPC1RAB9ASIGMAR1LMNA
SCHEMBL10533113 0.65 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL10571533 0.65 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL4055705 0.65 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL3220040 0.65 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL3220290 0.65 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT

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-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed