SCHEMBL9268154

SCHEMBL9268154

C1=Cc2ccccc2ON=C1.C1=Cc2ccccc2ON=C1.NC(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
P2RX4 Q99571 1/20 0.31
ATM Q13315 1/20 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
Urea SCHEMBL8887498 0.93 KDM4E (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11830480 0.93 P2RX4 (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
Oxalic Acid SCHEMBL10499933 0.87 MEN1 (0.32) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL244606 0.86 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL25341096 0.85 TRPA1 (0.31) KDM4EMEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL8480733 0.84 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29757278 0.84 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
Methylene Chloride SCHEMBL27481165 0.83 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
Fumaric Acid SCHEMBL11602682 0.83 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
Fumaric Acid SCHEMBL11602668 0.83 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A

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
US-5449674-A Prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-09-12 US disclosed
EP-0613472-A1 10-ACYL-DIBENZ(B,F) (1,4)-OXAZEPINES AND THEIR THIAZEPINES ANALO GUES USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1994-09-07 EP disclosed
WO-1993009104-A1 10-ACYL-DIBENZ(B,F) (1,4)-OXAZEPINES AND THEIR THIAZEPINES ANALO GUES USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1993-05-13 WO disclosed