SCHEMBL24101954

SCHEMBL24101954

O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)Nc1nc2c(s1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ NPC1 O15118 9/20 0.50
▸ TP53 P04637 8/20 0.50
▸ LMNA P02545 7/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ NFKB1 P19838 4/20 0.50
▸ NFKB2 Q00653 4/20 0.50
▸ RELA Q04206 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ PTBP1 P26599 1/20 0.50
▸ GFER P55789 2/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ MAPT P10636 7/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 3/20 0.48

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
SCHEMBL24101943 0.83 NPC1 (0.56) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL24101792 0.77 RAB9A (0.54) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL24101791 0.72 LMNA (0.56) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL24101956 0.72 LMNA (0.58) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL24101951 0.71 LMNA (0.57) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL16562034 0.69 ALDH1A1 (0.79) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL14631274 0.69 MAPT (0.71) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL14807083 0.69 RAB9A (0.75) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL14654072 0.69 RAB9A (0.71) RAB9AKMT2ANPC1TP53LMNA
SCHEMBL3109465 0.68 NPC1 (0.77) RAB9AKMT2ANPC1TP53LMNA

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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