SCHEMBL11076172

SCHEMBL11076172

CC1COc2c(N3CCC(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.81
KDM4E B2RXH2 7/20 0.79
ALDH1A1 P00352 6/20 0.79
HPGD P15428 4/20 0.79
HSD17B10 Q99714 2/20 0.79
ALB P02768 1/20 0.79
HRH3 Q9Y5N1 1/20 0.79
POLB P06746 2/20 0.78
TUBB4A P04350 1/20 0.78
TUBB P07437 1/20 0.78
TUBA3C P0DPH7 1/20 0.78
TUBA1B P68363 1/20 0.78
TUBA4A P68366 1/20 0.78
TUBB4B P68371 1/20 0.78
TUBB3 Q13509 1/20 0.78
TUBB2A Q13885 1/20 0.78
TUBB8 Q3ZCM7 1/20 0.78
TUBA3E Q6PEY2 1/20 0.78
TUBA1A Q71U36 1/20 0.78
SLC47A1 Q96FL8 1/20 0.78

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
SCHEMBL8134910 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20576314 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30306103 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30306067 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8571680 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25377603 0.94 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868701 0.92 AADAT (0.68) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5868699 0.92 AADAT (0.68) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11195276 0.91 KDM4E (0.81) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5021674 0.91 KDM4E (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP disclosed