SCHEMBL20463241

SCHEMBL20463241

O=c1c(Cl)c(Oc2ccc(CCCCO)nc2)cnn1PI

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20436992 0.75 CYP4F2 (0.37) NPBWR1MCHR1ATMLMNA
SCHEMBL15566368 0.63 SMN1; SMN2 (0.56) NPBWR1MCHR1ATMLMNASMN1; SMN2
SCHEMBL10919469 0.59 CYSLTR1 (0.42) —
SCHEMBL1629691 0.58 SMN1; SMN2 (0.44) ATMLMNASMN1; SMN2
SCHEMBL20436993 0.58 ESR1 (0.43) ATMSMN1; SMN2
SCHEMBL19260302 0.57 KDM4E (0.35) SMN1; SMN2
SCHEMBL3409477 0.57 SMN1; SMN2 (0.45) NPBWR1MCHR1ATMLMNASMN1; SMN2
SCHEMBL20099862 0.57 PDE10A (0.42) SMN1; SMN2
SCHEMBL3547047 0.57 ADRA2A (0.40) SMN1; SMN2
SCHEMBL4768617 0.57 ADRA2A (0.39) SMN1; 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
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 — — WO disclosed
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