SCHEMBL7733950

SCHEMBL7733950

NC(=S)N(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGS1 P23219 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
UGT1A1 P22309 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) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7062441 0.85 PTPN1 (0.54) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL8748156 0.81 ALDH1A1 (0.52) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL10946240 0.80 GRIK1 (0.47) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7741946 0.80 KDM4E (0.49) GRIK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11347335 0.79 RXFP1 (0.47) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL10108680 0.77 TAS2R14 (0.45) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL28217598 0.77 PTGIR (0.46) MEN1KMT2ALMNASRD5A2MAPT
SCHEMBL7618071 0.77 LMNA (0.43) GAARXFP1PTGS1LMNA
SCHEMBL7642079 0.77 GRIK1 (0.47) GRIK1MEN1KMT2AGAAALDH1A1

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