SCHEMBL7516623

SCHEMBL7516623

[CH2]C[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n4c3c2OC[C@H]4C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.41
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TUBB4A P04350 1/20 0.37
POLB P06746 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37

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
SCHEMBL1382964 0.91 AADAT (0.41) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1384479 0.87 PIM1 (0.44) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7593551 0.87 PIM1 (0.44) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4502759 0.86 PIM1 (0.43) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4519527 0.84 KCNH2 (0.46) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4501229 0.83 KCNH2 (0.45) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7514311 0.81 SIRT2 (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14444889 0.81 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5459852 0.81 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14444384 0.79 AADAT (0.36) AADATKDM4EALDH1A1HPGDHSD17B10

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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed