SCHEMBL23485552

SCHEMBL23485552

C/C(CC(C)C)=N\NC(=O)c1cccc(N)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ GAA P10253 6/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MMP2 P08253 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL22540076 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL21433610 0.86 GAA (0.55) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL21433611 0.86 GAA (0.55) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1843216 0.85 GAA (0.68) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1843219 0.85 GAA (0.68) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5705557 0.85 GAA (0.68) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL30240785 0.85 GAA (0.68) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL21433602 0.81 GAA (0.47) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL21433603 0.81 GAA (0.47) KDM4EALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL6633882 0.78 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2GAARAB9A

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-20210171744-A1 TIRE RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2021-06-10 — — US disclosed
EP-3722360-A1 TIRE RUBBER COMPOSITION AND TIRE Bridgestone Corporation (JP) 2020-10-14 — — EP disclosed
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