SCHEMBL9502681

SCHEMBL9502681

O=[N+](O)c1ccc(NS(=O)(=O)C(F)(F)F)c(OC2CCCCC2)c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
PTGS2 P35354 5/20 0.56
PTGS1 P23219 4/20 0.56
MEN1 O00255 1/20 0.56
PTGES O14684 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
TRPV1 Q8NER1 2/20 0.35

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
SCHEMBL9502677 0.89 CYP19A1 (0.72) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9501964 0.88 CYP19A1 (0.73) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9502689 0.87 CYP19A1 (0.72) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9502671 0.87 CYP19A1 (0.72) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9502643 0.86 CYP19A1 (0.73) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9501563 0.77 MRGPRX1 (0.49) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9501585 0.77 CYP19A1 (0.59) CYP19A1PTGS2PTGS1MEN1PTGES
Ns-398 SCHEMBL9505672 0.74 CYP19A1 (0.98) CYP19A1PTGS2PTGS1MEN1PTGES
SCHEMBL9504767 0.72 CYP19A1 (1.00) CYP19A1PTGS2PTGS1MEN1PTGES
Ns-398 SCHEMBL214213 0.72 CYP19A1 (1.00) CYP19A1PTGS2PTGS1MEN1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed