SCHEMBL24101951

SCHEMBL24101951

Cc1ccnc(Nc2nc(CC(=O)Nc3nc4c(s3)CCCC4)cs2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.57
▸ NPC1 O15118 8/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ TP53 P04637 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ PTBP1 P26599 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ CCNK O75909 2/20 0.47
▸ DDB1 Q16531 2/20 0.47
▸ CDK12 Q9NYV4 2/20 0.47

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
SCHEMBL24101791 0.82 LMNA (0.56) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101693 0.81 CCNK (0.70) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101404 0.81 CCNK (0.52) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101409 0.78 TDP1 (0.65) LMNAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL24101952 0.76 MEN1 (0.52) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101943 0.74 NPC1 (0.56) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101956 0.72 LMNA (0.58) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101954 0.71 RAB9A (0.51) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL24101708 0.70 ALDH1A1 (0.49) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL14825170 0.67 ALDH1A1 (1.00) LMNANPC1RAB9AMAPTALDH1A1

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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