SCHEMBL3288169

SCHEMBL3288169

Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc2cn[nH]c(=O)c12.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 3/20 0.38
PARP1 P09874 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
PRKCI P41743 1/20 0.38
PDE4B Q07343 1/20 0.38
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
CLTC Q00610 1/20 0.36
TERT O14746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL1009329 0.83 HSD17B10 (0.52) ALDH1A1HSD17B10PARP1TDP1PRKCI
Benzene SCHEMBL29261851 0.68 GAA (0.56) ALDH1A1TDP1HPGDKDM4EMAPK1
SCHEMBL16034285 0.68 GAA (0.62) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL10663598 0.68 GAA (0.62) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL57154 0.68 GAA (0.62) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL10917087 0.68 GAA (0.62) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL14914636 0.68 PARP1 (0.52) ALDH1A1HSD17B10PARP1TDP1PRKCI
Water SCHEMBL8364047 0.66 GAA (0.59) ALDH1A1HSD17B10TDP1HPGDKDM4E
SCHEMBL9506974 0.66 GAA (0.59) ALDH1A1HSD17B10TDP1HPGDKDM4E
Water SCHEMBL27456421 0.66 GAA (0.59) ALDH1A1HSD17B10TDP1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695898-B2 Photothermographic material and image formation method FUJIFILM CORPORATION (JP) 2010-04-13 US disclosed
US-20090123881-A1 PHOTOTHERMOGRAPHIC MATERIAL AND IMAGE FORMATION METHOD FUJIFILM CORPORATION (JP) 2009-05-14 US disclosed
US-6699653-B2 Photographic films containing group IB compounds such as silver behenate or stearate, silver halides and reducing agents on radiation transparent supports, having storage stability; antifogging FUJI PHOTO FILM CO., LTD. (JP) 2004-03-02 US disclosed
US-20030165784-A1 Photographic films containing group IB compounds such as silver behenate or stearate, silver halides and reducing agents on radiation transparent supports, having storage stability; antifogging FUJIFILM CORPORATION (JP) 2003-09-04 US disclosed
US-20030118954-A1 Photothermographic material and image formation method FUJIFILM CORPORATION (JP) 2003-06-26 US disclosed
US-5656419-A CONTAINING COMPOUND HAVING OXIDIZED NITROGEN-CONTAINING HETEROCYCLIC GROUP; HIGH CONTRAST IMAGE FUJI PHOTO FILM CO., LTD. (JP) 1997-08-12 US disclosed