SCHEMBL8942579

SCHEMBL8942579

CS(=O)(=O)Nc1cc(NC(=O)CNC2CC2)ccc1OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
CYP19A1 P11511 2/20 0.46
PTGES O14684 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RORC P51449 1/20 0.46
P2RX4 Q99571 1/20 0.46
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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 0.88 RORC (0.47) MEN1KMT2APTGS2ALDH1A1KDM4E
SCHEMBL8979006 0.84 ALDH1A1 (0.53) MEN1KMT2APTGS2ALDH1A1MAPT
Propylamine SCHEMBL8942567 0.80 RORC (0.48) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL8979019 0.75 PTGS2 (0.49) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL8979023 0.74 PTGS2 (0.57) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL9233767 0.73 PTGS2 (0.47) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL8523784 0.70 PTGS1 (0.61) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL9235400 0.70 PTGS2 (0.46) MEN1KMT2APTGS2ALDH1A1MAPT
SCHEMBL8942521 0.70 CYP19A1 (0.82) MEN1KMT2APTGS2ALDH1A1KDM4E
SCHEMBL21663533 0.70 POLB (0.68) POLB

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
US-5521311-A USEFUL AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTI-ALLERGENIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0685461-A1 5-AMINOACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-12-06 EP disclosed