SCHEMBL4438859

SCHEMBL4438859

NC(=O)OCc1cc(I)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
NR4A2 P43354 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL25400027 0.83 L3MBTL1 (0.44) IDO1L3MBTL1MAPTSCN5ASCN9A
SCHEMBL16291117 0.81 CYP3A4 (0.41) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL28532155 0.80 NQO1 (0.36) IDO1MMP1MMP2MMP9MMP12
SCHEMBL14685924 0.80 HPGD (0.39) RAB9AMAPTNPC1POLBCYP1A2
SCHEMBL27779243 0.80 SCN9A (0.41) IDO1L3MBTL1CASP3SENP8SENP7
SCHEMBL286760 0.79 IDO1 (0.57) IDO1L3MBTL1CASP3SENP8SENP7
SCHEMBL28896627 0.78 ALDH1A1 (0.46) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL722953 0.72 IDO1 (0.59) IDO1L3MBTL1CASP3SENP8SENP7
SCHEMBL116267 0.72 IDO1 (0.59) IDO1L3MBTL1MAPTHDAC8NR4A2
SCHEMBL28107699 0.72 IDO1 (0.42) IDO1RAB9ANPC1

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
EP-2532240-A2 Substituted benzene fungicides E. I. du Pont de Nemours and Company (US) 2012-12-12 EP disclosed
EP-2529624-A2 Substituted benzene fungicides E. I. du Pont de Nemours and Company (US) 2012-12-05 EP disclosed
EP-2129225-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. Du Pont de Nemours and Company (US) 2009-12-09 EP disclosed
WO-2008124092-A2 SUBSTITUTED BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-16 WO disclosed