SCHEMBL8206595

SCHEMBL8206595

CC1OCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
HSD17B10 Q99714 4/20 0.51
ALB P02768 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL9034917 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL9036371 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8202076 0.84 LMNA (0.38) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL7821385 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL2853298 0.80 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL5195420 0.80 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10761694 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL10502571 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
Water SCHEMBL8908357 0.80 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8202874 0.80 KDM4E (0.55) 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-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
EP-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 EP disclosed
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed