SCHEMBL13265855

SCHEMBL13265855

O=C(Nc1ccc(O)c(O)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ KCNMA1 Q12791 2/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HTT P42858 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ TNF P01375 1/20 0.46
▸ POLA1 P09884 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ P2RX1 P51575 1/20 0.46

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
SCHEMBL13240478 0.84 MAPT (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265835 0.84 MAPT (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265842 0.83 ALDH1A1 (0.58) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265772 0.82 ALDH1A1 (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14537694 0.82 SMN1; SMN2 (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265774 0.81 KMT2A (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265783 0.81 MAPT (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265775 0.81 MAPT (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265684 0.81 ALDH1A1 (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265771 0.81 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
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