SCHEMBL30149981

SCHEMBL30149981

CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 8/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ DTYMK P23919 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
SCHEMBL28942809 1.00 CYP1B1 (0.52) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL28942842 0.87 KMT2A (0.49) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL30149980 0.87 KMT2A (0.49) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL28942835 0.84 CYP1B1 (0.57) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL25868744 0.81 MEN1 (0.45) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL4303726 0.80 KMT2A (0.54) KMT2AALDH1A1KDM4EMEN1NPC1
SCHEMBL23843380 0.79 ALDH1A1 (0.60) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL3253838 0.76 CYP1B1 (0.57) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL24345544 0.75 CYP1B1 (0.55) CYP1B1KMT2AALDH1A1KDM4EMEN1
SCHEMBL2112047 0.75 CYP1B1 (0.67) CYP1B1KMT2AALDH1A1KDM4EMEN1

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
CN-115636786-A Simultaneously distinguishing Fe 2+ Synthesis and application of bifunctional fluorescent probe with glutathione 湖南师范大学 2023-01-24 — — CN claimed
CN-115636786-A Simultaneously distinguishing Fe 2+ Synthesis and application of bifunctional fluorescent probe with glutathione 湖南师范大学 2023-01-24 — — CN disclosed
Send feedback