SCHEMBL8979006

SCHEMBL8979006

CCCCC(=O)Nc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HTT P42858 1/20 0.53
RORC P51449 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP19A1 P11511 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
PTGES O14684 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX4 Q99571 1/20 0.45
HDAC1 Q13547 2/20 0.43

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
SCHEMBL8942563 0.87 RORC (0.47) ALDH1A1RORCSMN1; SMN2LMNAPTGS2
SCHEMBL8942579 0.84 MEN1 (0.47) ALDH1A1RORCSMN1; SMN2LMNAPTGS2
Propylamine SCHEMBL8942567 0.84 RORC (0.48) ALDH1A1RORCSMN1; SMN2PTGS2CYP19A1
SCHEMBL8979019 0.83 PTGS2 (0.49) ALDH1A1RORCSMN1; SMN2PTGS2CYP19A1
SCHEMBL8978970 0.80 CYP19A1 (0.53) ALDH1A1HTTSMN1; SMN2PTGS2CYP19A1
SCHEMBL9235400 0.73 PTGS2 (0.46) ALDH1A1RORCSMN1; SMN2PTGS2CYP19A1
SCHEMBL8979070 0.73 CYP19A1 (0.55) ALDH1A1SMN1; SMN2LMNAPTGS2CYP19A1
SCHEMBL8979023 0.73 PTGS2 (0.57) ALDH1A1SMN1; SMN2PTGS2CYP19A1CYP1A2
SCHEMBL10115496 0.73 ALDH1A1 (0.43) ALDH1A1HTTRORCSMN1; SMN2LMNA
SCHEMBL10115258 0.73 ALDH1A1 (0.46) ALDH1A1HTTRORCSMN1; SMN2LMNA

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