SCHEMBL30097042

SCHEMBL30097042

CCCCOC(=O)NCc1cc2nc(Cl)ccc2nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
NFKB1 P19838 1/20 0.41
STAT1 P42224 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 4/20 0.41
CYP2C9 P11712 1/20 0.41
TGFBR1 P36897 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
MAPKAPK2 P49137 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL30097049 0.83 MAPKAPK2 (0.42) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30042246 0.80 KDM4A (0.43) L3MBTL1MAPK1
SCHEMBL30096989 0.80 KDM4A (0.43) L3MBTL1MAPK1
SCHEMBL23705965 0.79 HDAC1 (0.34) TSHRCYP1A2CYP2C19CYP2C9L3MBTL1
SCHEMBL17017926 0.71 L3MBTL1 (0.46) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28880147 0.70 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL22366449 0.69 L3MBTL1 (0.47) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29944617 0.69 SMN1; SMN2 (0.49) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17794456 0.69 ACHE (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL13387445 0.69 FAAH (0.58) TSHRRAB9ASMN1; SMN2NPC1LMNA

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-4096667-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed