SCHEMBL28890678

SCHEMBL28890678

CNc1nc2ccccc2n1CCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ LMNA P02545 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ FABP4 P15090 1/20 0.54
▸ FABP5 Q01469 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ HTT P42858 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL18366240 0.83 KDM4E (0.52) KDM4EKMT2ALMNAMEN1TSHR
SCHEMBL22965215 0.82 LMNA (0.60) KDM4EKMT2ALMNATSHRTP53
SCHEMBL540852 0.81 LMNA (0.59) KDM4EKMT2ALMNATSHRTP53
SCHEMBL1520208 0.79 KDM4E (0.57) KDM4EKMT2ALMNAMEN1TSHR
SCHEMBL28516010 0.78 LMNA (0.62) KDM4EKMT2ALMNATSHRTP53
SCHEMBL5813721 0.77 FABP4 (0.55) KDM4EKMT2ALMNAMEN1HSD17B10
SCHEMBL23779995 0.76 KDM4E (0.60) KDM4EKMT2ALMNAMEN1TP53
SCHEMBL9697129 0.76 KDM4E (0.57) KDM4EKMT2ALMNAMEN1TSHR
SCHEMBL6325602 0.76 SMN1; SMN2 (0.70) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL540895 0.75 TP53 (0.65) KDM4ELMNATP53GAAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 — — CN disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 — — CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 — — CN disclosed
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