SCHEMBL8979023

SCHEMBL8979023

CS(=O)(=O)Nc1cc(N)ccc1OC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.57
CYP19A1 P11511 4/20 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
BRD4 O60885 3/20 0.41
EP300 Q09472 1/20 0.41
SCN9A Q15858 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
ADRB3 P13945 3/20 0.40

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
SCHEMBL8523784 0.80 PTGS1 (0.61) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL8942521 0.80 CYP19A1 (0.82) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL8091326 0.76 CYP19A1 (0.67) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL3241465 0.76 BRD4 (0.54) PTGS1MEN1ALDH1A1MAPTTSHR
SCHEMBL8979019 0.76 PTGS2 (0.49) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL8979118 0.75 CYP19A1 (0.65) PTGS2CYP19A1PTGS1MEN1PTGES
Propylamine SCHEMBL8942567 0.75 RORC (0.48) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL18301651 0.74 P2RX4 (0.50) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL9233767 0.74 PTGS2 (0.47) PTGS2CYP19A1PTGS1MEN1PTGES
SCHEMBL8942579 0.74 MEN1 (0.47) PTGS2CYP19A1PTGS1MEN1PTGES

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-0641774-B1 5-AMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 1996-05-08 EP disclosed
EP-0641774-A1 5-AMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed
US-5374764-A Antiinflammatory agens, antipyretics, analgesics and antiallergens TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed