SCHEMBL7703850

SCHEMBL7703850

O=C=NC(Cc1ccccc1)(N=C=O)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FDPS P14324 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 1/20 0.37
CALM1 P0DP23 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TRPA1 O75762 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MIF P14174 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL27678115 0.83 SMN1; SMN2 (0.41) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL18107094 0.79 SLC6A2 (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL11785888 0.79 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL43324 0.78 CYP1A2 (0.44) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL1793978 0.76 SLC6A2 (0.44) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL17027578 0.75 SLC6A2 (0.38) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL135997 0.74 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL669497 0.74 SMN1; SMN2 (0.46) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL5311912 0.72 CYP1A2 (0.39) CYP1A2CYP2C19CYP2D6ALDH1A1HPGD
SCHEMBL10942924 0.71 CYP1A2 (0.38) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS

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
CN-102459394-B Latent hardener for epoxy compositions TRILLION SCIENCE INC 2015-01-21 CN disclosed
CN-102459394-A Latent hardener for epoxy compositions TRILLION SCIENCE 2012-05-16 CN disclosed
EP-1237977-A2 POLYOL COMBINATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2002-09-11 EP disclosed
WO-2001038413-A2 POLYOL COMBINATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-05-31 WO disclosed