SCHEMBL24101708

SCHEMBL24101708

Cc1ccnc(Nc2nc(CC(=O)NCCc3cccs3)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ POLB P06746 3/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 8/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ KCNN1 Q92952 1/20 0.44
▸ KCNN2 Q9H2S1 1/20 0.44
▸ KCNN3 Q9UGI6 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL24101404 0.77 CCNK (0.52) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL24101952 0.75 MEN1 (0.52) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL24101693 0.75 CCNK (0.70) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL24101409 0.74 TDP1 (0.65) ALDH1A1MEN1KMT2APOLBESR2
SCHEMBL24101951 0.70 LMNA (0.57) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL22639923 0.67 PDE5A (0.55) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL24101942 0.66 PDE5A (0.51) KDM4EMEN1KMT2APOLBL3MBTL1
SCHEMBL5251770 0.65 NPC1 (0.62) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL10932130 0.65 HPGD (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL24358078 0.64 KCNN1 (0.76) ALDH1A1KDM4EMEN1KMT2APOLB

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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