SCHEMBL29694087

SCHEMBL29694087

NC(=O)c1ccccc1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ F2 P00734 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.54
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ PDCD1 Q15116 1/20 0.51
▸ CD274 Q9NZQ7 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 1/20 0.50

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
SCHEMBL24489089 1.00 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDF2KDM4E
SCHEMBL12758444 0.89 PDCD1 (0.58) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL3622343 0.83 TSHR (0.63) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL29577973 0.82 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL24489012 0.82 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL12758441 0.74 KMT2A (0.60) ALDH1A1SMN1; SMN2HPGDKMT2ANPC1
SCHEMBL9283635 0.74 NPC1 (0.63) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL21446806 0.74 HDAC1 (0.59) SMN1; SMN2KDM4ERAB9APDCD1CD274
SCHEMBL3618064 0.74 NPC1 (0.60) ALDH1A1SMN1; SMN2HPGDF2KDM4E
SCHEMBL13545936 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A

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
EP-4008717-A2 NOVEL INHIBITORS OF INSULIN-LIKE GROWTH FACTOR 2 MRNA BINDING PROTEINS Martin-Luther-Universität Halle-Wittenberg (DE) 2022-06-08 — — EP disclosed
Send feedback