SCHEMBL9220403

SCHEMBL9220403

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CYP19A1 P11511 7/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL29897293 0.91 MAPT (0.61) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL985801 0.91 MAPT (0.61) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL2086989 0.91 MAPT (0.61) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL3538406 0.87 HSD17B10 (0.53) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL11643839 0.85 TDP1 (0.59) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL9655337 0.85 MAPT (0.53) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL30907664 0.84 MAPT (0.65) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL4038925 0.84 MAPT (0.65) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL5099839 0.84 MAPT (0.65) MAPTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL824063 0.84 MAPT (0.52) MAPTLMNAHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439828-A Fluorgenic and chomogenic three-dimensional ionophores as selective reagents for detecting ions in biological fluids ALLIEDSIGNAL INC. (US) 1995-08-08 US disclosed
EP-0371992-B1 IONOPHORES AS REAGENTS FOR DETECTING IONS ALLIED SIGNAL INC (US) 1995-05-17 EP disclosed
US-5162525-A FLUOROGENIC AND CHROMOGENIC THREE-DIMENSIONAL IONOPHORES AS SELECTIVE REAGENTS FOR DETECTING IONS IN BIOLOGICAL FLUIDS ALLIED-SIGNAL INC. (US) 1992-11-10 US disclosed
EP-0371992-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS. ALLIED SIGNAL INC (US) 1990-06-13 EP disclosed
WO-1989000997-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS ALLIED-SIGNAL INC. (US) 1989-02-09 WO disclosed