SCHEMBL92179

SCHEMBL92179

[C-]#[N+]c1ccc2c(=O)n(C)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 4/20 0.51
CASP3 P42574 1/20 0.51
MPI P34949 7/20 0.34
KAT2B Q92831 1/20 0.34
PHOSPHO1 Q8TCT1 4/20 0.33
MIF P14174 4/20 0.33
PMM2 O15305 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2757826 0.76 KAT2B (0.64) G6PDCASP3MPIKAT2BPHOSPHO1
SCHEMBL50008 0.69 CASP3 (1.00) G6PDCASP3MPIPHOSPHO1PMM2
SCHEMBL1608981 0.66 G6PD (0.50) G6PDCASP3MIFKDM4EALDH1A1
SCHEMBL12244204 0.60 PDE3B (0.50) ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL6065091 0.59 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL8622171 0.57 G6PD (0.47) G6PDCASP3KAT2B
SCHEMBL777406 0.57 TRIM24 (0.37) ALDH1A1LMNAPKM
SCHEMBL8074285 0.57 ALDH1A1 (0.58) KDM4EALDH1A1LMNA
SCHEMBL8238127 0.56 CYP2A6 (0.33)
SCHEMBL8257537 0.55 ADORA2A (0.55)

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
US-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-8129308-B2 Thermal transfer image-receiving sheet and surface condition improver FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087552-A1 METHOD OF PRODUCING HEAT-SENSITIVE TRANSFER IMAGE-RECEIVING SHEET FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090011154-A1 THERMAL TRANSFER IMAGE-RECEIVING SHEET AND SURFACE CONDITION IMPROVER FUJIFILM CORPORATION (JP) 2009-01-08 US disclosed