SCHEMBL29874933

SCHEMBL29874933

COc1ccc(-c2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 11/20 0.47
▸ KDM1A O60341 1/20 0.40
▸ KIT P10721 1/20 0.38
▸ PDE2A O00408 3/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CD O00329 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19926333 1.00 MAT2A (0.47) MAT2AKDM1AKITPDE2APIK3CA
SCHEMBL21215550 0.94 KDM1A (0.41) MAT2AKDM1AKITPDE2APIK3CA
SCHEMBL29875148 0.87 MAT2A (0.52) MAT2AALDH1A1
SCHEMBL19926981 0.87 MAT2A (0.52) MAT2AALDH1A1
SCHEMBL19926567 0.87 MAT2A (0.52) MAT2AALDH1A1MEN1HTTKMT2A
SCHEMBL19936241 0.86 MAT2A (0.56) MAT2AALDH1A1MEN1HTTKMT2A
SCHEMBL19972128 0.85 MAT2A (0.49) MAT2AKITPDE2APIK3CDMEN1
SCHEMBL29875410 0.85 MAT2A (0.49) MAT2AKITPDE2APIK3CDMEN1
SCHEMBL19926850 0.83 MAT2A (0.52) MAT2AALDH1A1
SCHEMBL19927671 0.83 MAT2A (0.53) MAT2AALDH1A1MEN1HTTKMT2A

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
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 — — CN disclosed
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