SCHEMBL16404347

SCHEMBL16404347

O=C(c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
TNKS O95271 14/20 0.73
TNKS2 Q9H2K2 12/20 0.73
PARP1 P09874 6/20 0.73
GUSB P08236 7/20 0.73
PARP2 Q9UGN5 3/20 0.68
CYP1A1 P04798 1/20 0.68
CYP1B1 Q16678 1/20 0.68
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
WNT3A P56704 1/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63

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
SCHEMBL6885282 0.89 TNKS (0.93) HDAC8HDAC6TNKSTNKS2PARP1
SCHEMBL6124189 0.85 TNKS (0.93) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL258433 0.85 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL29592833 0.85 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL2006170 0.84 TNKS (1.00) HDAC8HDAC6TNKSTNKS2PARP1
SCHEMBL29900584 0.84 TNKS (1.00) HDAC8HDAC6TNKSTNKS2PARP1
Hydrochloric Acid SCHEMBL31529601 0.84 TNKS (0.96) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL15689510 0.82 TNKS (0.71) HDAC8HDAC6TNKSTNKS2PARP1
SCHEMBL15775876 0.81 TNKS (0.78) HDAC8HDAC6TNKSTNKS2PARP1
SCHEMBL7765127 0.81 TNKS (1.00) TNKSTNKS2PARP1GUSBPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed