SCHEMBL30152255

SCHEMBL30152255

CC(C)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9846815 0.80 MEN1 (0.41) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL30763475 0.78 SMN1; SMN2 (0.48) GAAMAPTPOLBSMN1; SMN2LMNA
SCHEMBL9846808 0.78 SMN1; SMN2 (0.48) GAAMAPTPOLBSMN1; SMN2LMNA
SCHEMBL6974150 0.74 L3MBTL1 (0.45) GAAMAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL24968848 0.73 HDAC3 (0.52) GAAPOLBLMNARAB9ANPC1
SCHEMBL6973377 0.73 LMNA (0.47) MAPTPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL28829630 0.70 MAPT (0.49) GAAMAPTSMN1; SMN2LMNAHTT
SCHEMBL23567966 0.70 AAK1 (0.50) GAAMAPTPOLBL3MBTL1LMNA
SCHEMBL21900756 0.69 SMN1; SMN2 (0.53) MAPTPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL6974180 0.69 ALDH1A1 (0.46) GAAMAPTSMN1; SMN2LMNAHTT

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed