SCHEMBL24101795

SCHEMBL24101795

Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)sc1C(=O)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ NPC1 O15118 9/20 0.61
▸ RAB9A P51151 9/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ TDP1 Q9NUW8 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
SCHEMBL24101684 0.84 NPC1 (0.80) SMN1; SMN2NPC1RAB9ARXFP1ALDH1A1
SCHEMBL24101687 0.82 LCK (0.52) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24101792 0.80 RAB9A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24101689 0.79 NPC1 (0.73) SMN1; SMN2NPC1RAB9ARXFP1ALDH1A1
SCHEMBL24101794 0.78 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24101796 0.75 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL11025335 0.69 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ARXFP1ALDH1A1
SCHEMBL13342029 0.68 F2 (0.71) SMN1; SMN2NPC1RAB9ARXFP1ALDH1A1
SCHEMBL3585075 0.68 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ARXFP1ALDH1A1
SCHEMBL774617 0.67 LCK (0.56) SMN1; SMN2NPC1RAB9ARXFP1HPGD

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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