SCHEMBL5156780

SCHEMBL5156780

O=[N+]([O-])c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc([N+](=O)O)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
GPR35 Q9HC97 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 2/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
CYP1A2 P05177 2/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL11694301 0.92 NPC1 (0.62) NPC1RAB9AATMGPR35ALDH1A1
Hydrochloric Acid SCHEMBL599994 0.91 NPC1 (0.65) NPC1RAB9AATMGPR35ALDH1A1
Hydrochloric Acid SCHEMBL30343291 0.91 NPC1 (0.65) NPC1RAB9AATMGPR35ALDH1A1
Bromide SCHEMBL5144105 0.91 NPC1 (0.61) NPC1RAB9AATMGPR35ALDH1A1
SCHEMBL29618182 0.87 RAB9A (0.64) NPC1RAB9AATMGPR35ALDH1A1
SCHEMBL13648647 0.87 RAB9A (0.64) NPC1RAB9AATMGPR35ALDH1A1
Hydrochloric Acid SCHEMBL8068701 0.85 NPC1 (0.67) NPC1RAB9AATMGPR35ALDH1A1
SCHEMBL741713 0.85 NPC1 (0.51) NPC1RAB9AATMGPR35ALDH1A1
Hydrochloric Acid SCHEMBL11217818 0.84 NPC1 (0.58) NPC1RAB9AATMGPR35ALDH1A1
SCHEMBL29595963 0.84 NPC1 (0.58) NPC1RAB9AATMGPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120243068-A1 ELECTROCHROMIC APPARATUS J TOUCH CORPORATION (TW) 2012-09-27 US disclosed
EP-1457813-B1 An improved electrochromic medium capable of producing a pre-selected color GENTEX CORP (US) 2007-01-24 EP disclosed
EP-1457813-A2 An improved electrochromic medium capable of producing a pre-selected color Gentex Corporation (US) 2004-09-15 EP disclosed
EP-0972227-B1 AN IMPROVED ELECTROCHROMIC MEDIUM CAPABLE OF PRODUCING A PRE-SELECTED COLOR GENTEX CORP (US) 2004-07-14 EP disclosed
US-6037471-A FOR ELECTROCHROMIC MIRRORS FOR MOTOR VEHICLES GENTEX CORPORATION (US) 2000-03-14 US disclosed
US-6020987-A Electrochromic medium capable of producing a pre-selected color GENTEX CORPORATION (US) 2000-02-01 US disclosed
US-5998617-A MIXTURE OF ELECTROACTIVE MATERIALS AT PRESELECTIVE CONCENTRATION; GRAY COLOR GENTEX CORPORATION (US) 1999-12-07 US disclosed