SCHEMBL6529889

SCHEMBL6529889

CN[C@@H](CC#N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1.N#CCC(N)C1CCN(c2c(C(=O)O)c(=O)c3cc(F)ccc3n2C2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
AADAT Q8N5Z0 2/20 0.47
TUBB4A P04350 1/20 0.47
POLB P06746 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
SLC47A1 Q96FL8 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
RCE1 Q9Y256 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
SCHEMBL6527038 0.85 KDM4E (0.63) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6527040 0.85 KDM4E (0.63) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6529166 0.85 KDM4E (0.63) KDM4EAADATTUBB4APOLBTUBB
Hydrochloric Acid SCHEMBL6528162 0.84 KDM4E (0.62) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6529072 0.84 KDM4E (0.65) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6528001 0.75 KDM4E (0.57) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6532431 0.75 KDM4E (0.57) KDM4EAADATTUBB4APOLBTUBB
Hydrochloric Acid SCHEMBL6527471 0.75 KDM4E (0.56) KDM4EAADATTUBB4APOLBTUBB
SCHEMBL6529274 0.73 KCNH2 (0.74) KDM4EPOLBKCNH2ALDH1A1HPGD
SCHEMBL6530890 0.73 KCNH2 (0.72) KDM4EPOLBKCNH2ALDH1A1HPGD

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-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed