SCHEMBL7608993

SCHEMBL7608993

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.52
GRIK1 P39086 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KIF11 P52732 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 1/20 0.40
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL7741945 0.91 MPO (0.54) MPOGRIK1ALDH1A1HTTTP53
SCHEMBL7621277 0.83 MEN1 (0.41) MPOGRIK1ALDH1A1MEN1KMT2A
SCHEMBL7609229 0.82 GRIK1 (0.46) GRIK1ALDH1A1HTTMEN1KMT2A
SCHEMBL7613082 0.82 MPO (0.51) MPOGRIK1ALDH1A1HTTMEN1
SCHEMBL6440646 0.81 GRIK1 (0.44) MPOGRIK1ALDH1A1HTTMEN1
SCHEMBL6933004 0.81 AKR1B1 (0.42) MPOGRIK1ALDH1A1HTTMEN1
SCHEMBL7613732 0.79 AKR1C3 (0.54) HTTMEN1KMT2ALMNAMAOB
SCHEMBL7741946 0.79 KDM4E (0.49) MPOGRIK1ALDH1A1MEN1KMT2A
SCHEMBL7642079 0.78 GRIK1 (0.47) MPOGRIK1ALDH1A1HTTMEN1
SCHEMBL7621249 0.78 PTPN1 (0.50) ALDH1A1HTTTP53MEN1KMT2A

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
EP-0906273-B1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2002-10-16 EP claimed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US claimed
EP-0906273-B1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2002-10-16 EP disclosed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US disclosed
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed