SCHEMBL7259662

SCHEMBL7259662

O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCSCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
ALDH1A1 P00352 5/20 0.77
RAB9A P51151 4/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
NPC1 O15118 3/20 0.77
LMNA P02545 3/20 0.77
PKM P14618 1/20 0.77
HPGD P15428 1/20 0.77
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
PDE4B Q07343 4/20 0.64
PDE4D Q08499 3/20 0.64
HTT P42858 2/20 0.59
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49

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
SCHEMBL7255383 0.87 RAB9A (1.00) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9479038 0.85 MAPT (0.77) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
Bromide SCHEMBL9478404 0.84 MAPT (0.76) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7259709 0.82 SCN5A (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31349243 0.79 MAPT (0.68) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7256227 0.78 PDE4B (0.67) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4048361 0.77 RAB9A (0.73) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31349239 0.77 ALDH1A1 (0.65) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9478006 0.77 TDP1 (0.67) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL3145322 0.77 CA12 (0.62) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed