SCHEMBL13240478

SCHEMBL13240478

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ ALDH1A1 P00352 5/20 0.59
▸ HTT P42858 3/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ LMNA P02545 5/20 0.56
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MITF O75030 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ GAA P10253 1/20 0.48

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
SCHEMBL13265835 0.88 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265774 0.86 KMT2A (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265771 0.85 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265684 0.85 ALDH1A1 (0.61) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265855 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265683 0.83 MAPT (0.81) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6943799 0.82 MEN1 (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265766 0.82 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8855672 0.82 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265777 0.81 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAMEN1

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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