SCHEMBL4391996

SCHEMBL4391996

S=C(NCN1CCOCC1)NC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
KMT2A Q03164 2/20 0.51
EPHX1 P07099 1/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL843571 0.85 EPHX1 (0.59) ALDH1A1MAPTNPSR1KDM4EMCOLN3
SCHEMBL6010327 0.82 GAA (0.71) ALDH1A1MAPTNPSR1KDM4EKMT2A
SCHEMBL27906779 0.76 GAA (0.46) ALDH1A1MAPTNPSR1KDM4EMCOLN3
SCHEMBL21903467 0.71 MAPT (0.96) ALDH1A1MAPTNPSR1KDM4EMCOLN3
SCHEMBL10304524 0.71 SIGMAR1 (0.67) ALDH1A1KMT2AEPHX1GAA
SCHEMBL16745550 0.71 PKM (0.55) ALDH1A1KDM4EKMT2AGAATP53
SCHEMBL6010329 0.71 KMT2A (0.56) ALDH1A1MAPTNPSR1KDM4EMCOLN3
SCHEMBL843570 0.70 KMT2A (0.61) ALDH1A1MAPTNPSR1KDM4EMCOLN3
SCHEMBL7569550 0.70 EPHX1 (0.84) ALDH1A1KDM4EKMT2AEPHX1GAA
SCHEMBL19557211 0.70 EPHX1 (0.59) ALDH1A1MAPTNPSR1KDM4EMCOLN3

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-2477073-A1 Resist composition for electron beam, EUV or X-ray Fujifilm Corporation (JP) 2012-07-18 EP disclosed
US-7521168-B2 Compound that has a reduction potential higher than that of diphenyl iodonium salt and generates an acid upon irradiation of an actinic ray or radiation. FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
EP-1338921-A2 Resist composition for electron beam, X-ray or EUV Fuji Photo Film Co., Ltd. (JP) 2003-08-27 EP disclosed