SCHEMBL9815017

SCHEMBL9815017

CC1=Nc2ccc3cc(S(=O)(=O)[O-])ccc3c2C1(C)C.[Na+]

nearest known ligand 0.55

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
THRB known ✓ P10828 1/20 0.38
FGF1 known ✓ P05230 1/20 0.33
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 1/20 0.32
IDO1 P14902 1/20 0.32
CASP6 P55212 2/20 0.32
SIRT1 Q96EB6 1/20 0.32
PRMT1 Q99873 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
DUSP5 Q16690 1/20 0.31

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
Potassium Ion SCHEMBL4296985 0.97 MEN1 (0.55) MEN1KMT2ATDP1LMNATHRB
Potassium Ion SCHEMBL30084855 0.97 MEN1 (0.55) MEN1KMT2ATDP1LMNATHRB
SCHEMBL4296859 0.88 MEN1 (0.56) MEN1KMT2ATDP1LMNATHRB
SCHEMBL9815014 0.86 MEN1 (0.55) MEN1KMT2ATDP1LMNATHRB
SCHEMBL4021394 0.86 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL28948590 0.86 MEN1 (0.55) MEN1KMT2ATDP1LMNATHRB
SCHEMBL1369158 0.81 DUSP5 (0.42) MEN1KMT2ATDP1LMNATHRB
Potassium Ion SCHEMBL14695214 0.79 MEN1 (0.43) MEN1KMT2ATDP1LMNA
SCHEMBL18031555 0.78 MEN1 (0.66) MEN1KMT2ATDP1LMNATHRB
SCHEMBL101283 0.78 KMT2A (0.57) MEN1KMT2ATDP1LMNATHRB

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-0288076-B1 INFRARED FILTER DYES FOR PHOTOGRAPHIC ELEMENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-09-04 EP disclosed
US-4871656-A SULFO-SUBSTITUTED INDOLE, BENZINDOLE OR NAPHTHINDOLE TRICARBOCYANINE DYE EASTMAN KODAK COMPANY (US) 1989-10-03 US disclosed
EP-0288076-A2 Infrared filter dyes for photographic elements EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-10-26 EP disclosed