SCHEMBL16601801

SCHEMBL16601801

Nc1ccc(C2=CC(=C3C=C(c4ccccc4)C(=O)C(c4ccccc4)=C3)C=C(c3ccc(N)cc3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.57
CYP3A4 P08684 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
PTPN1 P18031 2/20 0.47
PTPRC P08575 4/20 0.46
PTPRF P10586 1/20 0.46
CDC25B P30305 1/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B3 P37058 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL134702 0.87 BACE1 (0.73) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL28556962 0.77 BACE1 (0.72) BACE1CYP3A4TDP1PTPN1PTPRC
SCHEMBL10160580 0.76 BACE1 (0.57) BACE1CYP3A4PTPN1PTPRCPTPRF
SCHEMBL987908 0.73 BACE1 (1.00) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL24524183 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1
SCHEMBL21392391 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1
Benzidine SCHEMBL308333 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1
Biphenyl-4-Amine SCHEMBL20296849 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1
Biphenyl-4-Amine SCHEMBL15921057 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1
Benzidine SCHEMBL29002343 0.72 CYP3A4 (1.00) CYP3A4TDP1HSD17B10TAAR1NPC1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed