SCHEMBL8979389

SCHEMBL8979389

Cc1ccc(S(=O)(=O)OC(C)COc2c([N+](=O)[O-])ccc(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
TXNRD1 Q16881 1/20 0.35
VCAM1 P19320 1/20 0.35
PAX8 Q06710 1/20 0.35
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
PTGS2 P35354 2/20 0.33
S1PR4 O95977 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GPR174 Q9BXC1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL8979391 1.00 KMT2A (0.40) KMT2AMEN1RAB9ATXNRD1VCAM1
SCHEMBL8979366 1.00 KMT2A (0.40) KMT2AMEN1RAB9ATXNRD1VCAM1
SCHEMBL10434005 0.86 VCAM1 (0.35) KMT2AMEN1RAB9ATXNRD1VCAM1
SCHEMBL10433856 0.86 VCAM1 (0.35) KMT2AMEN1RAB9ATXNRD1VCAM1
SCHEMBL10433857 0.86 VCAM1 (0.35) KMT2AMEN1RAB9ATXNRD1VCAM1
SCHEMBL8979406 0.84 PTGS2 (0.36) KMT2ACA9LMNAPTGS2ALDH1A1
SCHEMBL8979377 0.84 PTGS2 (0.36) KMT2ACA9LMNAPTGS2ALDH1A1
SCHEMBL10434021 0.80 ATM (0.35) RAB9ATXNRD1VCAM1LMNARECQL
SCHEMBL10434023 0.80 ATM (0.35) RAB9ATXNRD1VCAM1LMNARECQL
SCHEMBL7518047 0.77 TXNRD1 (0.33) RAB9ATXNRD1VCAM1LMNARECQL

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-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP claimed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US claimed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP claimed