SCHEMBL5077871

SCHEMBL5077871

O=S(=O)([O-])c1ccc(C(F)(F)F)nc1.O=S(=O)([O-])c1ccc(C(F)(F)F)nc1.[Ca+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
SLC40A1 Q9NP59 3/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
PSEN1 P49768 6/20 0.43
PSEN2 P49810 6/20 0.43
APH1B Q8WW43 6/20 0.43
NCSTN Q92542 6/20 0.43
APH1A Q96BI3 6/20 0.43
PSENEN Q9NZ42 6/20 0.43
KCNH2 Q12809 3/20 0.41
MAP4K4 O95819 1/20 0.41
PIK3CA P42336 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.36
NAMPT P43490 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
SCHEMBL2169084 0.79 TRPV4 (0.52) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL18231250 0.79 KCNH2 (0.55) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL30845950 0.79 TRPV4 (0.52) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL3701877 0.79 KDM4E (0.57) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL244098 0.79 TRPV4 (0.52) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL29948975 0.79 TRPV4 (0.52) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
Hydrochloric Acid SCHEMBL29970288 0.78 TRPV4 (0.50) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL5077872 0.78 KDM4E (0.55) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL24590154 0.76 TRPV4 (0.48) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL24549326 0.76 ALDH1A1 (0.51) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497374-B1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GEN ELECTRIC (US) 2008-08-13 EP disclosed
US-7244778-B2 Filler reinforced polyether imide resin composition and molded article thereof GENERAL ELECTRIC COMPANY (US) 2007-07-17 US disclosed
CN-1314761-C Filler reinforced polyether imide resin composition and molded article thereof GEN ELECTRIC (US) 2007-05-09 CN disclosed
CN-1659234-A filler-reinforced polyetherimide resin composition and molded article thereof GEN ELECTRIC (US) 2005-08-24 CN disclosed
US-20050131105-A1 Filler reinforced polyether imide resin composition and molded article thereof SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2005-06-16 US disclosed