SCHEMBL7816249

SCHEMBL7816249

COC1(OC)NC(=N)c2cccc(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.33
BCHE P06276 1/20 0.33
DAO P14920 1/20 0.33
CES1 P23141 1/20 0.33
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G7 Q13093 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
SCHEMBL7825414 0.82 NLRP3 (0.33) NSD2BCHEDAOCES1POLB
SCHEMBL7831614 0.81 DAO (0.33) DAO
SCHEMBL11524425 0.79 CES1 (0.43) NSD2BCHEDAOCES1POLB
SCHEMBL7831463 0.79 CA1 (0.36) KMT2A
SCHEMBL7815267 0.77 CA2 (0.33)
SCHEMBL7828048 0.76 CES1 (0.33) CES1
SCHEMBL7829943 0.76 PDK2 (0.37) DAO
SCHEMBL3129229 0.74 ALDH1A1 (0.34) POLBKMT2A
SCHEMBL7828729 0.73 ALDH1A1 (0.36) KMT2A
SCHEMBL7827740 0.73 TDP1 (0.40) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
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