SCHEMBL27414736

SCHEMBL27414736

CC(C)c1cnc2n(c1=O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6683908 0.84 MAPK1 (0.40) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11095319 0.80 MAPT (0.44) MAPK1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL25735678 0.79 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL14701605 0.77 HPGD (0.47) MAPK1NPSR1TSHRSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11189485 0.77 MAPK1 (0.51) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL23108977 0.76 HPGD (0.50) MAPK1NPSR1TSHRSMN1; SMN2MEN1
SCHEMBL25915799 0.75 MAPK1 (0.43) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL15042238 0.74 MAPK1 (0.40) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11092210 0.74 SMN1; SMN2 (0.45) MAPK1NPSR1TSHRSMN1; SMN2MEN1
SCHEMBL25909784 0.73 MAP4K1 (0.33) LMNAL3MBTL1

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-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed