SCHEMBL8908261

SCHEMBL8908261

O=C(O)c1cn2c3c(cc(F)cc3c1=O)OCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.48
CYP1A2 P05177 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA2B P18089 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AADAT Q8N5Z0 2/20 0.38
POLB P06746 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL4154463 0.85 KDM4E (0.38) KDM4ECYP1A2SMN1; SMN2ADRA2BMAPK1
SCHEMBL4886778 0.83 KDM4E (0.46) KDM4ECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL2183758 0.79 MCL1 (0.49) KDM4ELMNA
SCHEMBL6671002 0.79 TOP1 (0.47) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL4884272 0.78 KDM4E (0.36) KDM4ECYP1A2ADRA2BMAPK1ALDH1A1
SCHEMBL10330763 0.77 KDM4E (0.47) KDM4ECYP1A2SMN1; SMN2ADRA2BMAPK1
SCHEMBL4887129 0.76 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL4717957 0.74 KDM4E (0.63) KDM4ECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL29433778 0.74 KDM4E (0.63) KDM4ECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL4717954 0.74 KDM4E (0.63) KDM4ECYP1A2SMN1; SMN2ALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58225092-A None JP disclosed
US-5663411-A (+)2-benzoyl-3-[(prop-2(S)-yl)amino]acrylate derivatives and a method for the preparation of the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1997-09-02 US disclosed
US-5539110-A Method for the preparation of (-)piperazine benzoxazine derivatives KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1996-07-23 US disclosed
US-5516926-A (+) 2-benzoyl-3-(silyloxyprop-2(S)-yl)aminoacrylate derivatives and a method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1996-05-14 US disclosed
EP-0394553-B1 Use of fluorine containing pyridone carboxylic acid derivatives for preparing a medicament for the treatment of HIV infections DAIICHI SEIYAKU CO (JP) 1995-06-21 EP disclosed
EP-0470252-A1 ANTI-HIV DRUG DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-12 EP disclosed
JP-S58225092-A PYRIDO(1,2,3-DE)(1,4)BENZOXAZINE-6-CARBOXYLIC ACID DERIVATIVE DAI ICHI SEIYAKU CO LTD 1983-12-27 JP disclosed