SCHEMBL5451716

SCHEMBL5451716

S=C(Nc1ccccc1)Nc1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
RAB9A P51151 5/20 0.68
NPC1 O15118 3/20 0.68
ALDH1A1 P00352 7/20 0.65
CYP3A4 P08684 3/20 0.65
HSD17B10 Q99714 2/20 0.65
TAS2R38 P59533 1/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 2/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAOA P21397 3/20 0.61
MAOB P27338 3/20 0.61
KMT2A Q03164 6/20 0.60
GAA P10253 3/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.56

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
SCHEMBL10394966 0.94 KDM4E (0.70) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL11067801 0.87 NPC1 (0.62) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL8956322 0.83 ALDH1A1 (0.94) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL11072593 0.83 NPC1 (0.59) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL16786365 0.82 MAPT (0.60) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL132620 0.81 ALDH1A1 (1.00) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL27003089 0.81 RAB9A (0.68) MAPTRAB9ANPC1ALDH1A1CYP3A4
SCHEMBL30697002 0.81 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL11049543 0.81 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9470190 0.79 ALDH1A1 (0.94) MAPTRAB9ANPC1ALDH1A1CYP3A4

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 US disclosed