SCHEMBL30149980

SCHEMBL30149980

CSc1ccc2c3c(cccc13)C(=O)N(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ BRD4 O60885 3/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ DTYMK P23919 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL28942842 1.00 KMT2A (0.49) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL30149981 0.87 CYP1B1 (0.52) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28942809 0.87 CYP1B1 (0.52) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28942833 0.87 KMT2A (0.54) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28942834 0.84 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4303726 0.79 KMT2A (0.54) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL9886515 0.72 KMT2A (0.60) KMT2AALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL12413498 0.72 MEN1 (0.64) KMT2AALDH1A1KDM4EGAALMNA
SCHEMBL28942835 0.71 CYP1B1 (0.57) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL31490564 0.71 DDB1 (0.46) KMT2AALDH1A1SMN1; SMN2HSD17B10GAA

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
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