SCHEMBL2556012

SCHEMBL2556012

Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc[n+]1C=Cc1ccccc1

nearest known ligand 0.41

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 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 3/20 0.40
PPARG P37231 1/20 0.40
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MMP2 P08253 2/20 0.37
EGFR P00533 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
CYP1B1 Q16678 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 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
SCHEMBL4462187 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL3319557 0.82 CHAT (0.45) ALDH1A1KDM4EMEN1KMT2APTGS2
SCHEMBL7908968 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL3848317 0.82 HTT (0.40) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL372527 0.77 CHAT (0.61) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL11386719 0.76 RAB9A (0.51) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL11386724 0.76 RAB9A (0.51) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL3341816 0.73 PTGS2 (0.40) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL5762355 0.73 LMNA (0.51) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL10398844 0.73 PPARG (0.43) ALDH1A1KDM4EMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021203056-A1 APPARATUS AND METHODS FOR UPCONVERSION OF A MILLIMETER-WAVE SIGNAL AND DETECTION OF THE UPCONVERTED SIGNAL Microtech Instruments, Inc. (US) 2021-10-07 WO claimed
WO-1999043121-A2 COMMUNICATIONS LINK OPTICAL AMPLIFICATION AND DISPERSION COMPENSATION MOLECULAR OPTOELECTRONICS CORPORATION (US) 1999-08-26 WO claimed
US-20240152026-A1 QUANTUM ABSORPTION SPECTROSCOPY SYSTEM KYOTO UNIVERSITY (JP) 2024-05-09 US disclosed
US-20230020945-A1 QUANTUM ABSORPTION SPECTROSCOPY SYSTEM AND QUANTUM ABSORPTION SPECTROSCOPY METHOD KYOTO UNIVERSITY (JP) 2023-01-19 US disclosed
WO-2022186383-A1 QUANTUM ABSORPTION SPECTROSCOPY SYSTEM 国立大学法人京都大学 2022-09-09 WO disclosed
WO-2021117632-A1 QUANTUM ABSORPTION SPECTROSCOPY SYSTEM AND QUANTUM ABSORPTION SPECTROSCOPY METHOD 国立大学法人京都大学 2021-06-17 WO disclosed
US-10554015-B1 Growth/fabrication of organic-inorganic quasi phase-matching structures for frequency conversion devices UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2020-02-04 US disclosed
US-9960568-B1 Growth/fabrication of organic-inorganic quasi phase-matching structures for frequency conversion devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2018-05-01 US disclosed
WO-2013022605-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
WO-2011124829-A1 METHOD FOR STABILISING THE EMISSION FREQUENCY OF A QUANTUM CASCADE LASER, AND RELATED DEVICE UNIVERSITÉ PARIS DIDEROT - PARIS 7 (FR) 2011-10-13 WO disclosed
WO-1999043121-A2 COMMUNICATIONS LINK OPTICAL AMPLIFICATION AND DISPERSION COMPENSATION MOLECULAR OPTOELECTRONICS CORPORATION (US) 1999-08-26 WO disclosed
WO-1999014622-A1 ORGANIC CRYSTAL COMPOUND OPTICAL WAVEGUIDE AND METHODS FOR ITS FABRICATION MOLECULAR OPTOELECTRONICS CORPORATION (US) 1999-03-25 WO disclosed
WO-1998032048-A1 OPTICAL WAVEGUIDE AMPLIFIER MOLECULAR OPTOELECTRONICS CORPORATION (US) 1998-07-23 WO disclosed