SCHEMBL17320209

SCHEMBL17320209

Cc1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.85
AMY1A P0DUB6 3/20 0.85
NPC1 O15118 6/20 0.85
MEN1 O00255 6/20 0.85
KMT2A Q03164 6/20 0.85
RAB9A P51151 5/20 0.85
MAPT P10636 4/20 0.85
PTGS2 P35354 2/20 0.81
GAA P10253 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ALOX15 P16050 2/20 0.71
TSHR P16473 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
USP2 O75604 1/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
THRB P10828 1/20 0.71
HPGD P15428 1/20 0.71
ALOX12 P18054 1/20 0.71
HTT P42858 1/20 0.71

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
SCHEMBL4538024 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL12297429 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL31126461 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL12297401 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL838274 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL1886814 0.92 RAB9A (1.00) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL1819906 0.92 RAB9A (0.78) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL10072694 0.92 ALOX5 (0.74) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL12297873 0.90 ALOX5 (0.71) ALOX5AMY1ANPC1MEN1KMT2A
SCHEMBL12297395 0.90 PTGS2 (1.00) ALOX5AMY1ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2795322-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2015-12-09 EP disclosed