SCHEMBL9314846

SCHEMBL9314846

O=C(NC(=O)N1CCc2[nH]c3c(cnc4cc(Cl)ccc43)c2C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 2/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MCL1 Q07820 1/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHEK1 O14757 1/20 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
SCHEMBL9315614 0.88 PTGDR2 (0.48) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9315615 0.88 PTGDR2 (0.48) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9315820 0.87 MEN1 (0.58) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9314877 0.85 KMT2A (0.46) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9314841 0.84 BAZ2B (0.45) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9314695 0.82 TRPV1 (0.47) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9316061 0.81 BAZ2B (0.45) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9315583 0.80 MAPT (0.48) BAZ2BMAPTKMT2AMEN1CYP1A2
SCHEMBL9315604 0.79 MAPT (0.55) MAPTKMT2AMEN1GAAMAPK1
SCHEMBL9316614 0.78 MEN1 (0.51) BAZ2BMAPTKMT2AMEN1CYP1A2

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-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US claimed
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed