SCHEMBL9718599

SCHEMBL9718599

COc1ccc(-c2noc(C3CN4CCC3CC4)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL9718562 0.86 RAB9A (0.59) KCNH2SMN1; SMN2
SCHEMBL9718617 0.83 KCNH2 (0.65) KCNH2
SCHEMBL9718621 0.81 KCNH2 (0.56) KCNH2
SCHEMBL9718655 0.79
SCHEMBL9718623 0.77 KCNH2 (0.81) KCNH2
SCHEMBL9718605 0.75 LMNA (0.41)
SCHEMBL9718610 0.74 KCNH2 (0.55) KCNH2
SCHEMBL9493360 0.72 CHRNA7 (0.61)
SCHEMBL20676389 0.72 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPT
SCHEMBL4425801 0.72 NR1H4 (0.64) SMN1; SMN2ALDH1A1MAPT

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-5135935-A Anticholesterol agents MERCK & CO., INC. (US) 1992-08-04 US disclosed