SCHEMBL8979395

SCHEMBL8979395

C[C@@H](COc1c([N+](=O)[O-])ccc(F)c1F)OC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL8979393 1.00 CHEK1 (0.33) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL8979375 1.00 CHEK1 (0.33) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL8979373 1.00 CHEK1 (0.33) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL8979374 1.00 CHEK1 (0.33) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10433892 0.90 KMT2A (0.32) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10433791 0.90 KMT2A (0.32) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10433893 0.90 KMT2A (0.32) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10433895 0.90 KMT2A (0.32) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10434337 0.83 ALDH1A1 (0.34) CHEK1GSTP1GSTM2MEN1KMT2A
SCHEMBL10434335 0.83 ALDH1A1 (0.34) CHEK1GSTP1GSTM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed