SCHEMBL5213348

SCHEMBL5213348

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2sccc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.88
KMT2A Q03164 1/20 0.88
PTGER4 P35408 1/20 0.82
PTGER3 P43115 1/20 0.82
AGTR1 P30556 1/20 0.79

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
Potassium SCHEMBL3490489 0.99 MEN1 (0.86) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL3490486 0.99 MEN1 (0.86) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL238048 0.93 MEN1 (1.00) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL29409702 0.93 MEN1 (1.00) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL6056618 0.92 MEN1 (0.75) MEN1KMT2APTGER4PTGER3AGTR1
Potassium SCHEMBL6056620 0.92 MEN1 (0.75) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL3489772 0.90 PTGER4 (1.00) MEN1KMT2APTGER4PTGER3AGTR1
SCHEMBL9565990 0.90 AGTR1 (0.84) PTGER4PTGER3AGTR1
SCHEMBL9565999 0.89 AGTR1 (0.83) AGTR1
SCHEMBL9565941 0.88 AGTR1 (0.86) PTGER4PTGER3AGTR1

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
EP-1450813-B1 ANTAGONISTS OF PROSTAGLANDIN RECEPTORS EP2 AND/OR EP4 FOR THE TREATMENT OF MENORRHAGIA MEDICAL RES COUNCIL (GB) 2007-08-29 EP claimed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP claimed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP disclosed