SCHEMBL9468867

SCHEMBL9468867

Cc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1N1C(=O)c2cccc(N)c2C1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.67
▸ DPP4 P27487 1/20 0.60
▸ HSPA1A P0DMV8 1/20 0.59
▸ PABPC1 P11940 1/20 0.59
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TYMS P04818 3/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 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
SCHEMBL3824635 0.84 MEN1 (0.51) ADORA2AMEN1KMT2ATYMSALDH1A1
SCHEMBL9468815 0.81 HSPA1A (0.80) ADORA2ADPP4HSPA1APABPC1MEN1
SCHEMBL31061260 0.80 ADORA2A (1.00) ADORA2ADPP4HSPA1APABPC1MEN1
SCHEMBL9500252 0.80 LMNA (0.73) ADORA2AMEN1KMT2ATYMSNPC1
SCHEMBL10693122 0.80 ADORA2A (0.59) ADORA2ADPP4HSPA1APABPC1MEN1
SCHEMBL11727082 0.79 DPP4 (0.55) ADORA2ADPP4MEN1KMT2ATYMS
SCHEMBL9566668 0.77 HSPA1A (0.73) ADORA2ADPP4HSPA1APABPC1MEN1
SCHEMBL9566604 0.77 HSPA1A (0.77) ADORA2ADPP4HSPA1APABPC1MEN1
SCHEMBL9468786 0.77 ALDH1A1 (0.78) ADORA2ADPP4MEN1KMT2ANPC1
SCHEMBL13665446 0.76 DPP4 (0.55) ADORA2ADPP4HSPA1APABPC1TYMS

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
US-5212277-A Engineering plastics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-05-18 — — US disclosed
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