SCHEMBL7609229

SCHEMBL7609229

Cc1ccc(N(C(N)=O)c2cccc(C(F)(F)F)c2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
NOTUM Q6P988 1/20 0.44
DHODH Q02127 1/20 0.42
RORC P51449 7/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFE2L2 Q16236 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL7621277 0.87 MEN1 (0.41) GRIK1NOTUMDHODHRORCMEN1
SCHEMBL7613082 0.86 MPO (0.51) GRIK1NOTUMDHODHMEN1KMT2A
SCHEMBL7613732 0.85 AKR1C3 (0.54) MEN1KMT2AKDM4EHTTAKR1C3
SCHEMBL6440646 0.85 GRIK1 (0.44) GRIK1NOTUMDHODHMEN1KMT2A
SCHEMBL7741946 0.83 KDM4E (0.49) GRIK1NOTUMMEN1KMT2AALDH1A1
SCHEMBL7642079 0.82 GRIK1 (0.47) GRIK1NOTUMMEN1KMT2AALDH1A1
SCHEMBL7608993 0.82 MPO (0.52) GRIK1MEN1KMT2AALDH1A1HTT
SCHEMBL7617161 0.81 SMN1; SMN2 (0.45) RORCMEN1KMT2AALDH1A1USP2
SCHEMBL7741957 0.80 TAS2R14 (0.43) GRIK1NOTUMDHODHMEN1KMT2A
SCHEMBL7152638 0.80 NOTUM (0.40) NOTUMMEN1KMT2AALDH1A1KDM4E

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