SCHEMBL24101679

SCHEMBL24101679

O=C(Cc1csc(Nc2cccc(Cl)c2)n1)Nc1nccs1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ GAA P10253 2/20 0.67
▸ CTPS1 P17812 7/20 0.59
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ KDM1A O60341 1/20 0.55
▸ KDR P35968 1/20 0.52
▸ FFAR2 O15552 1/20 0.52
▸ SMN1; SMN2 Q16637 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
SCHEMBL24101406 0.85 MAPT (0.70) MAPTGAACTPS1RAB9ALMNA
SCHEMBL24101692 0.82 MAPT (0.65) MAPTGAACTPS1RAB9ALMNA
SCHEMBL4933637 0.81 MAPT (0.47) MAPTGAACTPS1MEN1KMT2A
SCHEMBL24101421 0.81 MAPT (0.77) MAPTGAACTPS1LMNAMEN1
SCHEMBL24101691 0.79 MAPT (0.70) MAPTCTPS1RAB9ALMNAMEN1
SCHEMBL3956903 0.76 MEN1 (0.65) MAPTGAARAB9ALMNAMEN1
SCHEMBL24101768 0.75 MAPT (0.79) MAPTGAACTPS1RAB9ALMNA
SCHEMBL24101681 0.75 PDE5A (0.70) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL17207741 0.75 MEN1 (1.00) MAPTGAARAB9ALMNAMEN1
SCHEMBL27586973 0.74 FFAR2 (0.47) GAARAB9ALMNAMEN1KMT2A

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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