SCHEMBL3359240

SCHEMBL3359240

O=S(=O)(O)c1ccc(-c2c(O)nc(-c3ccc(F)cc3)nc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
LMNA P02545 1/20 0.40
PTGS2 P35354 10/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGS1 P23219 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
GBA1 P04062 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL3358276 0.86 TSHR (0.47) ENPP2LMNAMEN1KMT2ACA1
SCHEMBL3359431 0.86 TSHR (0.47) ENPP2LMNAMEN1KMT2ACA1
SCHEMBL3361558 0.78 ALOX5 (0.50) LMNABCL2L1BADMEN1NPC1
SCHEMBL28711090 0.78 MEN1 (0.41) ENPP2LMNAPTGS2MEN1NPC1
SCHEMBL2752103 0.77 LMNA (0.52) LMNAPTGS2BCL2L1BADMEN1
SCHEMBL66196 0.75 LMNA (0.59) LMNAMEN1KMT2ACA1CA2
SCHEMBL15106541 0.74 HTR2A (0.39) ENPP2MEN1NPC1RAB9AKMT2A
SCHEMBL6914794 0.73 LMNA (0.56) LMNAMEN1KMT2ACA1CA2
SCHEMBL6914537 0.73 LMNA (0.56) LMNAMEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL3278762 0.73 LMNA (0.56) LMNAMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081031-A1 POLYMER ELECTROLYTE MEMBRANE FOR DIRECT METHANOL FUEL CELL AND DIRECT METHANOL FUEL CELL KABUSHIKI KAISHA TOSHIBA (JP) 2010-04-01 US disclosed