SCHEMBL7816231

SCHEMBL7816231

CCOC1(OCC)NC(=N)c2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.35
AGPAT2 O15120 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL7828075 0.88 AKR1B1 (0.36) PPOXGAAHPGDTSHRKDM4E
SCHEMBL7827289 0.84 PPOX (0.39) PPOXHPGDKDM4E
SCHEMBL7823710 0.83 KDM4E (0.32) HPGDKDM4E
SCHEMBL7827395 0.79 CYP1A2 (0.33)
SCHEMBL7827464 0.78 ALDH1A1 (0.39) GAAHPGDTSHRKDM4EKMT2A
SCHEMBL7823289 0.78 SMN1; SMN2 (0.39) KMT2A
SCHEMBL7815934 0.77 MEN1 (0.41) GAAHPGDKDM4EKMT2A
SCHEMBL7827484 0.77 PDK2 (0.37) GAAHPGDKDM4EKMT2A
SCHEMBL7827424 0.74 PDK2 (0.40) GAATSHRKDM4EKMT2A
SCHEMBL7826474 0.74 PDK2 (0.40) GAATSHRKDM4EKMT2A

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-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
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed