SCHEMBL9316614

SCHEMBL9316614

COc1cccc(NC(=O)N2CCc3[nH]c4c(cnc5cc(Cl)ccc54)c3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX15 P16050 2/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCL1 Q07820 1/20 0.47
HTT P42858 1/20 0.46
TUBB4A P04350 1/20 0.45

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
SCHEMBL9315820 0.88 MEN1 (0.58) MEN1MAPTKMT2AALOX15GAA
SCHEMBL10139880 0.83 MEN1 (0.56) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9316646 0.81 MEN1 (0.49) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9314695 0.80 TRPV1 (0.47) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9314846 0.78 BAZ2B (0.46) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9315583 0.78 MAPT (0.48) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9314877 0.77 KMT2A (0.46) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9314841 0.77 BAZ2B (0.45) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9315615 0.77 PTGDR2 (0.48) MEN1MAPTKMT2AALOX15GAA
SCHEMBL9315614 0.77 PTGDR2 (0.48) MEN1MAPTKMT2AALOX15GAA

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