SCHEMBL3795668

SCHEMBL3795668

CN(C)c1ccc2c(c1)=NC(=O)N=2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.42
APP P05067 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 8/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
IP6K1 Q92551 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 4/20 0.35
PSMB5 P28074 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL1827090 0.71 MAOA (0.37) ALDH1A1HSD17B10ALOX15SMN1; SMN2TP53
SCHEMBL7220827 0.67
SCHEMBL3226561 0.67 S100A4 (0.39) ALDH1A1TSHRHPGDTP53MAPK1
SCHEMBL1153218 0.67 ESR1 (0.39) KDM4EALDH1A1TSHRHSD17B10ALOX15
SCHEMBL17423913 0.67 HSP90AA1 (0.39) HPGDMEN1KMT2ACYP2A6EGFR
SCHEMBL382451 0.67 NPC1 (0.35) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL17845354 0.65 CA2 (0.45) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL11050387 0.65 MAPT (0.42) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
Water SCHEMBL11162060 0.65 NPC1 (0.34) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL1418729 0.64 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471876-B1 DICHLORODIKETOPYRROLOPYRROLE PIGMENT, COLORING MATERIAL DISPERSION CONTAINING THE PIGMENT, AND PROCESS FOR PRODUCTION OF THE COLORING MATERIAL DISPERSION FUJIFILM CORP (JP) 2014-12-10 EP disclosed
EP-2471876-A1 DICHLORODIKETOPYRROLOPYRROLE PIGMENT, COLORING MATERIAL DISPERSION CONTAINING THE PIGMENT, AND PROCESS FOR PRODUCTION OF THE COLORING MATERIAL DISPERSION FUJIFILM Corporation (JP) 2012-07-04 EP disclosed
US-20100261103-A1 ORGANIC PIGMENT FINE PARTICLES AND METHOD OF PRODUCING THE SAME, PIGMENT-DISPERSION COMPOSITION, PHOTOCURABLE COMPOSITION AND INK-JET INK CONTAINING THE SAME, AND COLOR FILTER USING THE SAME AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2010-10-14 US disclosed