SCHEMBL30639628

SCHEMBL30639628

CN(C)c1nc(=O)[nH]c2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 13/20 1.00
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
PARP1 P09874 1/20 0.46
PRMT5 O14744 1/20 0.46
HAVCR2 Q8TDQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHEK1 O14757 1/20 0.43
CA9 Q16790 1/20 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
SCHEMBL24807308 0.78 MAT2A (0.63) MAT2ATP53SMN1; SMN2LMNAKDM4E
SCHEMBL24808398 0.77 MAT2A (0.62) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL30095578 0.77 MAT2A (0.62) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL24807047 0.77 MAT2A (0.62) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL29161500 0.77 MAT2A (0.62) MAT2ASMN1; SMN2LMNAPARP1KDM4E
SCHEMBL12322576 0.76 MAT2A (0.60) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL14347575 0.75 MAT2A (0.60) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL14374256 0.75 MAT2A (0.66) MAT2ATP53SMN1; SMN2LMNAPARP1
SCHEMBL11756495 0.73 MAT2A (0.58) MAT2ATP53SMN1; SMN2LMNAPRMT5
SCHEMBL24808403 0.72 MAT2A (0.54) MAT2ALMNAKDM4EMEN1CASP1

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-117624063-A Heterocyclic compound and application thereof 中国科学院上海药物研究所 2024-03-01 CN disclosed
WO-2023196985-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-10-12 WO disclosed