SCHEMBL8664347

SCHEMBL8664347

Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2N)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.62
HDAC3 O15379 9/20 0.62
HDAC2 Q92769 9/20 0.62
MAPK1 P28482 1/20 0.62
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
NCOR2 Q9Y618 3/20 0.55
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51

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
SCHEMBL9324803 0.94 HDAC1 (0.55) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL4487883 0.86 HDAC1 (0.66) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL8399721 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL392793 0.80 NPC1 (0.70) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL2784357 0.80 HPGD (0.62) MAPK1NPC1RAB9AKDM4ECASP3
SCHEMBL1702919 0.79 NPC1 (0.74) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL30489855 0.79 NPC1 (0.74) HDAC1HDAC3HDAC2MAPK1NPC1
Hydrochloric Acid SCHEMBL11743643 0.79 NPC1 (0.68) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL7717671 0.78 NPC1 (0.72) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL7722705 0.78 NPC1 (0.72) HDAC1HDAC3HDAC2MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577245-B1 Photogenerating azo pigments XEROX CORP (US) 1998-12-02 EP claimed
US-5281503-A Multilayer element with disazo pigments and charge generating layer XEROX CORPORATION (US) 1994-01-25 US claimed
EP-0577245-A1 Photogenerating azo pigments XEROX CORPORATION (US) 1994-01-05 EP claimed
EP-0577245-B1 Photogenerating azo pigments XEROX CORP (US) 1998-12-02 EP disclosed
US-5281503-A Multilayer element with disazo pigments and charge generating layer XEROX CORPORATION (US) 1994-01-25 US disclosed
EP-0577245-A1 Photogenerating azo pigments XEROX CORPORATION (US) 1994-01-05 EP disclosed