SCHEMBL30002774

SCHEMBL30002774

CCOC(=O)c1[nH]c2ccccc2c(=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
HTR6 P50406 2/20 0.61
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60
TUBA1A Q71U36 2/20 0.60
TUBA1C Q9BQE3 2/20 0.60
TUBB6 Q9BUF5 2/20 0.60
TUBB2B Q9BVA1 2/20 0.60
TUBB1 Q9H4B7 2/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL4463471 1.00 KDM4E (0.61) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL2880010 0.89 KDM4E (0.66) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL5270788 0.86 RAB9A (0.57) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL3103611 0.86 KDM4E (0.59) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL753833 0.85 TUBB4A (0.60) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL6643173 0.83 ALDH1A1 (0.69) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8412387 0.82 HTR6 (0.65) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL754726 0.82 HTR6 (0.62) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL3276393 0.82 TUBB4A (0.67) KDM4EHTR6TUBB4ATUBBTUBA3C
SCHEMBL7534562 0.82 ALDH1A1 (0.71) KDM4EHTR6TUBB4ATUBBTUBA3C

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
WO-2022214519-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-13 WO disclosed