SCHEMBL6534320

SCHEMBL6534320

COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.79
ALDH1A1 P00352 9/20 0.79
KDM4E B2RXH2 8/20 0.72
LMNA P02545 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
CTSV O60911 1/20 0.62
TUBB4A P04350 1/20 0.62
TP53 P04637 1/20 0.62
TUBB P07437 1/20 0.62
CTSL P07711 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62

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
SCHEMBL6534282 0.88 HPGD (1.00) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6534639 0.84 HPGD (1.00) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL29411859 0.84 HPGD (1.00) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30462987 0.81 HPGD (0.74) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30462937 0.81 HPGD (0.76) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30935699 0.80 HPGD (0.77) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2630603 0.79 HPGD (0.76) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2465149 0.79 ALDH1A1 (1.00) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3699661 0.78 KDM4E (0.77) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL31237652 0.78 ALDH1A1 (0.82) HPGDALDH1A1KDM4ELMNASMN1; SMN2

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-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed