SCHEMBL14782202

SCHEMBL14782202

[CH2]C(C)(C)Cc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HTT P42858 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ AKR1B10 O60218 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ G6PD P11413 1/20 0.40
▸ PKM P14618 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
SCHEMBL14938102 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14782163 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3105068 0.82 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5051522 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28978972 0.82 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL22134502 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1856347 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL30293228 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8437108 0.80 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1289600 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670523-A1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING Agilent Technologies, Inc. (US) 2020-06-24 — — EP disclosed
EP-2970366-A1 NUCLEOTIDE ANALOGS FOR SEQUENCING Ibis Biosciences, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014150851-A1 NUCLEOTIDE ANALOGS FOR SEQUENCING IBIS BIOSCIENCES, INC. (US) 2014-09-25 — — WO disclosed
EP-2755984-A1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING Lasergen, Inc. (US) 2014-07-23 — — EP disclosed
WO-2013040257-A1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2013-03-21 — — WO disclosed
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