SCHEMBL8919799

SCHEMBL8919799

N=C1NC2(OCCO2)c2c(Cl)cccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
BCHE P06276 1/20 0.35
DAO P14920 1/20 0.35
CES1 P23141 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IGF1R P08069 1/20 0.32
TGM2 P21980 1/20 0.31
PDE7A Q13946 1/20 0.30
PIK3CG P48736 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL8922914 0.80 DAO (0.35) DAO
SCHEMBL8917662 0.75 CES1 (0.34) CES1TGM2PDE7A
SCHEMBL8919955 0.73 ALDH1A1 (0.36) GSK3AIGF1R
SCHEMBL8920911 0.73 DDB1 (0.33)
SCHEMBL8921082 0.70 PDE7A (0.32) PDE7A
SCHEMBL8920969 0.69 AKR1A1 (0.37) CES1GSK3AGSK3BPDE7A
SCHEMBL7825414 0.65 NLRP3 (0.33) NSD2BCHEDAOCES1
SCHEMBL8920309 0.62 PARP1 (0.35)
SCHEMBL8922231 0.62 KMT2A (0.33)
SCHEMBL7828007 0.61 CES1 (0.38) NSD2BCHEDAOCES1GSK3B

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-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed