SCHEMBL18678359

SCHEMBL18678359

CCN(CCO)c1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 3/20 0.46
▸ HTT P42858 3/20 0.45
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42

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
SCHEMBL3130705 0.91 MAPT (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL18435301 0.88 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL31212713 0.84 TSHR (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7039465 0.83 MAPT (0.46) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL532332 0.83 MAPT (0.59) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL531065 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL531064 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL148266 0.83 MAPT (0.59) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL168393 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL29740662 0.82 MAPT (0.57) ALDH1A1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088654-A1 COPOLYMER HAVING ADJUSTABLE GLASS TRANSITION TEMPERATURE AND HAVING USEFULNESS AS ORGANIC ELECTRO-OPTIC POLYMER, AND ORGANIC ELECTRO-OPTIC ELEMENT USING THE SAME NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) 2017-03-30 — — US disclosed
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