SCHEMBL7762865

SCHEMBL7762865

O=S(=O)([O-])c1ccc2c(c1)ncn2S.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
LMNA P02545 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH3A1 P30838 4/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
NOD1 Q9Y239 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32

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
SCHEMBL4967369 0.69 FGFR1 (0.54) KMT2ASMN1; SMN2
SCHEMBL11884182 0.65 GAA (0.53) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL11203866 0.65 LMNA (0.47) LMNATDP1KMT2APOLB
SCHEMBL5343737 0.63 ALDH1A1 (0.48) LMNAHTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5870841 0.62 TDP1 (0.52) LMNATDP1HTTKMT2AMEN1
SCHEMBL2504303 0.62 TDP1 (0.52) LMNATDP1HTTKMT2AMEN1
SCHEMBL27786197 0.62 PRKCI (0.42) LMNATDP1HTTALDH1A1SMN1; SMN2
SCHEMBL19953365 0.61 LMNA (0.55) LMNATDP1ALDH1A1TSHRKMT2A
SCHEMBL31647146 0.60 GAA (0.48) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL305422 0.60 LMNA (0.56) LMNATDP1KMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823657-B1 Silver halide photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 2001-05-02 EP disclosed
EP-0823657-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1998-02-11 EP disclosed
US-4978603-A Developing an emulsion layer containing a rhodium salt and a preferential grain size using a dihydroxy developer, a sulfite and an indazole compound FUJI PHOTO FILM CO., LTD. (JP) 1990-12-18 US disclosed