SCHEMBL24101406

SCHEMBL24101406

CNC(=O)Cc1csc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.70
▸ GAA P10253 2/20 0.70
▸ CTPS1 P17812 7/20 0.64
▸ KDM1A O60341 1/20 0.60
▸ KDR P35968 1/20 0.58
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL24101421 0.87 MAPT (0.77) MAPTGAACTPS1KDM1AKDR
SCHEMBL24101692 0.85 MAPT (0.65) MAPTGAACTPS1KDM1AKDR
SCHEMBL24101679 0.85 MAPT (0.67) MAPTGAACTPS1KDM1AKDR
SCHEMBL24101768 0.81 MAPT (0.79) MAPTGAACTPS1KDRLMNA
SCHEMBL5591452 0.75 MAPT (0.54) MAPTGAACTPS1KDRLMNA
SCHEMBL24101686 0.75 PDE5A (0.63) MAPTGAACTPS1LMNAMEN1
SCHEMBL28007948 0.73 MAPT (0.62) MAPTGAACTPS1KDM1ALMNA
SCHEMBL28707161 0.71 KDM1A (0.78) MAPTGAAKDM1ALMNASMN1; SMN2
SCHEMBL29654005 0.71 KDM1A (0.78) MAPTGAAKDM1ALMNASMN1; SMN2
SCHEMBL2870272 0.71 KDM1A (0.78) MAPTGAAKDM1ALMNASMN1; SMN2

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
WO-2021249517-A1 A MOLECULAR GLUE REGULATING CDK12-DDB1 INTERACTION TO TRIGGER CYCLIN K DEGRADATION NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-12-16 — — WO disclosed
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