SCHEMBL8905995

SCHEMBL8905995

CN(C)c1ccc(C(=O)c2ccc(Cc3ccc(=O)[nH]n3)n2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GLO1 Q04760 1/20 0.40
HPGD P15428 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 3/20 0.34
BCR P11274 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8905800 0.87 AKR1B1 (0.54) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905896 0.86 PTGS2 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904190 0.86 AKR1B1 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905930 0.86 AKR1B1 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904844 0.86 AKR1B1 (0.43) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904821 0.85 CXCL8 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8905554 0.84 LMNA (0.45) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904611 0.84 CXCL8 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL8904566 0.84 NPC1 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL9031112 0.84 CXCL8 (0.40) CXCL8AKR1B1PTGS1PTGS2GLO1

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-5622948-A ANALGESICS SYNTEX (U.S.A.) INC. (US) 1997-04-22 US disclosed
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed