SCHEMBL11064670

SCHEMBL11064670

CCC(=O)c1cc(CC)cc(NC(=O)c2nnn[nH]2)c1O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10513959 0.89 LMNA (0.32) LMNAGAAHTT
SCHEMBL11065956 0.87 CYP1A2 (0.35) LMNAGAAHTTPOLBALDH1A1
SCHEMBL11073898 0.85 — —
SCHEMBL11069345 0.83 GPR35 (0.33) —
SCHEMBL11071748 0.81 IRAK4 (0.37) LMNAGAAHTTPOLBALDH1A1
SCHEMBL11062722 0.81 GABRA1 (0.34) LMNAGAAHTTSMN1; SMN2
SCHEMBL11562794 0.79 POLB (0.32) POLB
SCHEMBL11063432 0.78 ALDH1A1 (0.34) LMNAGAAHTTALDH1A1MAPT
SCHEMBL11072576 0.76 ACR (0.38) LMNAHTTPOLBALDH1A1MAPT
SCHEMBL11070756 0.75 GAA (0.42) LMNAGAAHTTALDH1A1MAPT

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US claimed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US disclosed
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