SCHEMBL9566623

SCHEMBL9566623

Nc1cccc2c1C(=O)N(c1ccc(I)cc1)C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.73
PABPC1 P11940 1/20 0.73
ADORA2A P29274 1/20 0.71
DPP4 P27487 1/20 0.55
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
AHR P35869 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 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
SCHEMBL9566604 0.86 HSPA1A (0.77) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL31259838 0.84 HSPA1A (1.00) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL11513204 0.84 HSPA1A (1.00) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL9566651 0.84 HSPA1A (0.69) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL31061260 0.83 ADORA2A (1.00) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL9571687 0.82 HSPA1A (0.61) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL9468703 0.82 HSPA1A (0.71) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL9453251 0.82 MEN1 (0.50) HSPA1APABPC1ADORA2AKMT2AALDH1A1
SCHEMBL9468821 0.82 HSPA1A (0.71) HSPA1APABPC1ADORA2ADPP4KMT2A
SCHEMBL9468815 0.81 HSPA1A (0.80) HSPA1APABPC1ADORA2ADPP4KMT2A

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-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP claimed