SCHEMBL9101957

SCHEMBL9101957

CC(C)(C)C1CCC(OS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 6/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL19469370 0.90 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL9101402 0.83 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL31605685 0.81 KMT2A (0.49) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL30896747 0.80 F2 (0.45) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL19469382 0.80 ACHE (0.52) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL9099237 0.78 CYP3A4 (0.42) ACHEALDH1A1POLBMAPTCA1
SCHEMBL19182745 0.77 KMT2A (0.47) KMT2AMEN1ACHEALDH1A1POLB
SCHEMBL4184453 0.77 MET (0.50) ALDH1A1MAPTLMNA
SCHEMBL30896766 0.77 MET (0.50) ALDH1A1MAPTLMNA
SCHEMBL8415137 0.76 PRMT5 (0.50) KMT2AMEN1ACHEALDH1A1MAPT

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-11450445-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-09-20 US disclosed
US-20200303086-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-09-24 US disclosed
US-10720259-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-07-21 US disclosed
US-20170309363-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-26 US disclosed
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed