SCHEMBL5574497

SCHEMBL5574497

Clc1cccc(-c2ncnc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
IDO1 P14902 3/20 0.41
MAP4K4 O95819 5/20 0.40
KMO O15229 1/20 0.40
XPO1 O14980 1/20 0.39
BACE1 P56817 1/20 0.39
DHFR P00374 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NR1I3 Q14994 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL307863 0.83 IDO1 (0.46) CYP19A1IDO1XPO1NPC1RAB9A
SCHEMBL1048783 0.83 IDO1 (0.46) CYP19A1IDO1XPO1NPC1RAB9A
SCHEMBL2367747 0.81 NPC1 (0.38) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2199254 0.80 HRH4 (0.45) MAP4K4KMODHFRNPC1RAB9A
SCHEMBL29620540 0.80 NR1I3 (0.48) CYP19A1IDO1MAP4K4KMONPC1
SCHEMBL27740602 0.80 CYP19A1 (0.46) CYP19A1IDO1MAP4K4KMODHFR
SCHEMBL2367435 0.79 CLK4 (0.54) CYP19A1MAP4K4NPC1RAB9ANR1I3
SCHEMBL27689580 0.78 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4413811 0.77 KDM4E (0.39) CYP19A1DHFRNPC1RAB9ATP53
SCHEMBL28426158 0.77 NR1I3 (0.46) CYP19A1IDO1MAP4K4KMONPC1

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
CN-102216400-A Radiation curable coating materials BASF SE 2011-10-12 CN disclosed
EP-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 WO disclosed
WO-2005103823-A1 PHOTOSENSITIVE COMPOSITION FOR BLACK MATRIX SHOWA DENKO K.K. (JP) 2005-11-03 WO disclosed
EP-1388025-A2 PHOTOSENSITIVE COLORING COMPOSITON, COLOR FILTER USING THE COMPOSITON AND METHOD OF PRODUCING THE SAME Showa Denko K.K. (JP) 2004-02-11 EP disclosed
WO-2002093255-A2 PHOTOSENSITIVE COLORING COMPOSITON, COLOR FILTER USING THE COMPOSITON AND METHOD OF PRODUCING THE SAME SHOWA DENKO K. K. (JP) 2002-11-21 WO disclosed