SCHEMBL24101802

SCHEMBL24101802

Cc1cc(C)nc(Nc2nc(CC(=O)Nc3nc(-c4ccco4)cs3)cs2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC12A2 P55011 1/20 0.51
▸ SLC12A5 Q9H2X9 1/20 0.51
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ CCNK O75909 1/20 0.46
▸ DDB1 Q16531 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL24101706 0.85 CCNK (0.64) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101789 0.83 MEN1 (0.54) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101694 0.81 MEN1 (0.57) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101793 0.80 RAB9A (0.53) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101416 0.77 GAA (0.66) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL24101410 0.77 MEN1 (0.61) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101448 0.76 ALDH1A1 (0.60) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101798 0.76 L3MBTL1 (0.56) SLC12A2SLC12A5MEN1KMT2AALDH1A1
SCHEMBL24101791 0.73 LMNA (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24101796 0.71 ALDH1A1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A

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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