SCHEMBL7741946

SCHEMBL7741946

NC(=O)N(c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GRIK1 P39086 5/20 0.44
NOTUM Q6P988 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MPO P05164 3/20 0.40
SRD5A2 P31213 1/20 0.40
SORT1 Q99523 3/20 0.39
CES2 O00748 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
SCHEMBL6440646 0.90 GRIK1 (0.44) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL7642079 0.86 GRIK1 (0.47) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL7741945 0.86 MPO (0.54) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL7617161 0.86 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDHSD17B10AKR1C3
SCHEMBL7621277 0.84 MEN1 (0.41) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL5606524 0.83 CES2 (0.50) KDM4EALDH1A1MEN1KMT2ASRD5A2
SCHEMBL7613082 0.83 MPO (0.51) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL7609229 0.83 GRIK1 (0.46) KDM4EALDH1A1HPGDHSD17B10GRIK1
SCHEMBL7613732 0.82 AKR1C3 (0.54) KDM4EAKR1C3AKR1C2MEN1KMT2A
SCHEMBL28217598 0.82 PTGIR (0.46) MEN1KMT2ASRD5A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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