SCHEMBL7997064

SCHEMBL7997064

Cc1cccc(Oc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.51
RECQL P46063 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F10 P00742 1/20 0.47
POLB P06746 2/20 0.46
TBXA2R P21731 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
SCHEMBL31522154 1.00 ALDH1A1 (0.55) ALDH1A1L3MBTL1GAATDP1MAPT
SCHEMBL10360452 0.89 L3MBTL1 (0.59) ALDH1A1L3MBTL1TDP1MAPTMEN1
SCHEMBL31522169 0.87 L3MBTL1 (0.58) ALDH1A1L3MBTL1TDP1MAPTMEN1
SCHEMBL30668812 0.84 L3MBTL1 (0.64) ALDH1A1L3MBTL1TDP1MAPTMEN1
SCHEMBL1339905 0.84 L3MBTL1 (0.64) ALDH1A1L3MBTL1TDP1MAPTMEN1
SCHEMBL13400264 0.84 MEN1 (0.67) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9688249 0.83 MAPT (0.58) ALDH1A1L3MBTL1GAATDP1MAPT
SCHEMBL10417311 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8695351 0.82 L3MBTL1 (0.60) ALDH1A1L3MBTL1TDP1MAPTMEN1
SCHEMBL31522167 0.82 L3MBTL1 (0.60) ALDH1A1L3MBTL1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed