SCHEMBL19052279

SCHEMBL19052279

COc1cc(NNc2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL15998100 1.00 MAPT (0.43) MAPTALDH1A1POLBGAAMEN1
SCHEMBL12557559 0.89 ALDH1A1 (0.53) MAPTALDH1A1POLBGAAMEN1
SCHEMBL12548139 0.89 ALDH1A1 (0.53) MAPTALDH1A1POLBGAAMEN1
SCHEMBL30462193 0.89 ALDH1A1 (0.53) MAPTALDH1A1POLBGAAMEN1
SCHEMBL19241993 0.87 ALDH1A1 (0.43) MAPTALDH1A1POLBGAAMEN1
SCHEMBL19563400 0.85 ALDH1A1 (0.48) MAPTALDH1A1POLBGAAMEN1
SCHEMBL25419498 0.85 MAPT (0.50) MAPTALDH1A1POLBGAAMEN1
SCHEMBL5355218 0.85 MAPT (0.50) MAPTALDH1A1POLBGAAMEN1
SCHEMBL14516729 0.85 MAPT (0.50) MAPTALDH1A1POLBGAAMEN1
SCHEMBL15998110 0.84 ALDH1A1 (0.47) MAPTALDH1A1POLBGAAMEN1

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
EP-2316974-B2 Dark quenchers for donor-acceptor energy transfer BIOSEARCH TECH INC (US) 2017-06-28 — — EP disclosed
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