SCHEMBL7108420

SCHEMBL7108420

CC(C)COCNc1nc(N)nc(N)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ESR1 P03372 1/20 0.32
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
IDH1 O75874 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
SCHEMBL11330676 0.83 ALDH1A1 (0.32)
SCHEMBL3105245 0.82 CA1 (0.39) HTR7CA1CA2CA9HTR6
SCHEMBL7132699 0.80 CDK1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL963512 0.79 TLR8 (0.36) CA1CA2CA9
SCHEMBL12504703 0.77 HTR7 (0.35) HTR7ADRA1DADRA1AADRA1BCA1
SCHEMBL28661180 0.76 CA1 (0.36) CA1CA2CA9
SCHEMBL3981799 0.76 CA1 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8578645 0.75 CA1 (0.35) CA1CA2CA9
SCHEMBL17915969 0.75 TLR8 (0.36) HTR7ADRA1DADRA1AADRA1B
SCHEMBL8130295 0.74 SMN1; SMN2 (0.33) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017127603-A1 ELASTOMERIC COMPOSITIONS COMPRISING CELLULOSE ESTER ADDITIVES EASTMAN CHEMICAL COMPANY (US) 2017-07-27 WO claimed
CN-110462505-A Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal indicate element NISSAN CHEMICAL CORP 2019-11-15 CN disclosed
CN-109791332-A The liquid crystal for having the liquid crystal display panel with curve form indicates element and the aligning agent for liquid crystal for it 日产化学株式会社 2019-05-21 CN disclosed
CN-109196411-A Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal indicate element 日产化学株式会社 2019-01-11 CN disclosed
CN-108700776-A Liquid crystal display element, liquid crystal optical element, and composition for liquid crystal structure stabilizing film 日产化学工业株式会社 2018-10-23 CN disclosed
EP-0733686-B1 Aqueous dispersions of etherified amino resins and their use as hardening agents in aqueous coating compositions SURFACE SPECIALTIES GERMANY GM (DE) 2003-10-01 EP disclosed
EP-0733686-A2 Aqueous dispersiones of etherified amino resins and their use as hardening agents in aqueous coating compositions Vianova Resins GmbH (DE) 1996-09-25 EP disclosed
EP-0016086-A4 NON MELT-DRIP FLAME RETARDANT POLYCARBONATE ARTICLES. GEN ELECTRIC (US) 1980-10-16 EP disclosed
EP-0016086-A1 NON MELT-DRIP FLAME RETARDANT POLYCARBONATE ARTICLES. GEN ELECTRIC (US) 1980-10-01 EP disclosed
WO-1980000143-A1 NON MELT-DRIP FLAME RETARDANT POLYCARBONATE COMPOSITION GEN ELECTRIC (US) 1980-02-07 WO disclosed