SCHEMBL7979445

SCHEMBL7979445

O=C1NCCC(=O)c2c1[nH]c1ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 2/20 0.52
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL3001277 0.83 MAPT (0.52) KDM4ELMNACDK5CDK5R1MAPT
SCHEMBL7976297 0.83 CDK5 (0.55) KDM4ELMNAGAACDK5CDK5R1
SCHEMBL7982365 0.83 KDM4E (0.70) KDM4ELMNACDK5MAPTALDH1A1
SCHEMBL7979758 0.83 KDM4E (0.48) KDM4ELMNACDK5CDK5R1MAPT
SCHEMBL6350624 0.82 KDM4E (0.69) KDM4ELMNAGAACDK5MAPT
SCHEMBL3427648 0.80 TUBB4A (0.68) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL7977857 0.80 ALDH1A1 (0.72) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL3000687 0.80 GSK3B (0.50) KDM4ELMNACDK5MAPTALDH1A1
SCHEMBL7979446 0.79 MAPT (0.73) KDM4ELMNACDK5CDK5R1MAPT
SCHEMBL21724805 0.77 PRKD1 (0.71) KDM4ELMNAGAACDK5MAPT

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
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed