SCHEMBL7907585

SCHEMBL7907585

O=[N+]([O-])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 6/20 0.55
HSPB1 P04792 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
PRSS1 P07477 3/20 0.53
MAPK1 P28482 3/20 0.52
S1PR4 O95977 1/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL11221739 0.95 MAPT (0.56) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL6255209 0.92 ALDH1A1 (0.53) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL4101417 0.90 TSHR (0.59) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL6575773 0.90 MEN1 (0.56) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL29695817 0.90 TSHR (0.59) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL8973132 0.90 CYP19A1 (0.57) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL9638940 0.89 ALDH1A1 (0.56) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL10801307 0.89 NPC1 (0.57) NPC1RECQLRAB9AMAPTMEN1
SCHEMBL8973683 0.89 ALDH1A1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6651358 0.89 PRSS1 (0.54) NPC1RECQLRAB9AMAPTMEN1

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
US-6198007-B1 REACTING 1-HALOGENO-2,4-DINITROBENZENES WITH MONO-ALKALI METAL SALTS OF SPECIFIC DIOLS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-1046632-A1 Process for the preparation of 1-substituted 2,4-dinitrobenzenes Bayer Aktiengesellschaft (DE) 2000-10-25 EP disclosed
EP-0573041-B1 Nonlinear optical material, method of manufacturing the same, and wavelength converter MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1997-01-08 EP disclosed
EP-0573041-A1 Nonlinear optical material, method of manufacturing the same, and wavelength converter MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1993-12-08 EP disclosed