SCHEMBL11080941

SCHEMBL11080941

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.77
ALDH1A1 P00352 5/20 0.77
HPGD P15428 4/20 0.77
HSD17B10 Q99714 2/20 0.77
ALB P02768 1/20 0.77
HRH3 Q9Y5N1 1/20 0.77
TUBB4A P04350 5/20 0.75
TUBB P07437 5/20 0.75
TUBA3C P0DPH7 5/20 0.75
TUBA1B P68363 5/20 0.75
TUBA4A P68366 5/20 0.75
TUBB4B P68371 5/20 0.75
TUBB3 Q13509 5/20 0.75
TUBB2A Q13885 5/20 0.75
TUBB8 Q3ZCM7 5/20 0.75
TUBA3E Q6PEY2 5/20 0.75
TUBA1A Q71U36 5/20 0.75
TUBA1C Q9BQE3 5/20 0.75
TUBB6 Q9BUF5 5/20 0.75
TUBB2B Q9BVA1 5/20 0.75

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
SCHEMBL9147745 0.91 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9148608 0.91 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11195276 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL5021674 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL25380033 0.90 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL26193773 0.90 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL26193774 0.90 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11076172 0.89 AADAT (0.81) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11198681 0.89 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL26197440 0.89 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10ALB

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