SCHEMBL9766253

SCHEMBL9766253

Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1

nearest known ligand 0.96

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.96
TKT P29401 7/20 0.83
TDP1 Q9NUW8 1/20 0.82
HSP90AA1 P07900 1/20 0.62
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.50
PPP5C P53041 1/20 0.49

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
SCHEMBL675863 1.00 LMNA (0.96) LMNATKTTDP1HSP90AA1ALDH1A1
SCHEMBL29465135 1.00 LMNA (0.96) LMNATKTTDP1HSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL478202 0.99 LMNA (0.94) LMNATKTTDP1HSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL9766249 0.99 LMNA (0.94) LMNATKTTDP1HSP90AA1ALDH1A1
Bromide SCHEMBL23151782 0.99 LMNA (0.94) LMNATKTTDP1HSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL23151779 0.99 LMNA (0.94) LMNATKTTDP1HSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL19138210 0.98 LMNA (0.93) LMNATKTTDP1HSP90AA1ALDH1A1
Phosphoric Acid SCHEMBL991151 0.98 LMNA (0.93) LMNATKTTDP1HSP90AA1ALDH1A1
Cocarboxylase SCHEMBL80028 0.98 LMNA (1.00) LMNATKTTDP1HSP90AA1ALDH1A1
Cocarboxylase SCHEMBL30192281 0.98 LMNA (1.00) LMNATKTTDP1HSP90AA1ALDH1A1

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
WO-2016079576-A1 A PROCESS FOR THE PREPARATION OF A THIAMINE DERIVATIVE AND SALT THEREOF ASHMI LIFE SCIENCES PRIVATE LIMITED (IN) 2016-05-26 WO claimed
WO-2016079576-A1 A PROCESS FOR THE PREPARATION OF A THIAMINE DERIVATIVE AND SALT THEREOF ASHMI LIFE SCIENCES PRIVATE LIMITED (IN) 2016-05-26 WO disclosed
US-5047223-A Separation of phosphoric acid from aqueous solutions of thiamine phosphates BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4999112-A Using a Cation Exchanger Resin BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed