SCHEMBL24521448

SCHEMBL24521448

C#C[C@@H]1CCCN(C2CCN(C(=O)CN)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL3 Q96JM7 7/20 0.35
L3MBTL1 Q9Y468 6/20 0.35
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34

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
SCHEMBL21281022 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CPN1
SCHEMBL24244806 0.86 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CPN1
SCHEMBL24521475 0.86 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4755198 0.78 CPN1 (0.46) ALDH1A1SMN1; SMN2CPN1CPB2L3MBTL1
Hydrochloric Acid SCHEMBL27195379 0.77 CPN1 (0.45) ALDH1A1SMN1; SMN2CPN1CPB2L3MBTL1
SCHEMBL4714675 0.77 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EL3MBTL3
SCHEMBL21281054 0.72 PKM (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL22891320 0.72 PKM (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL18909103 0.72 PKM (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15787062 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2

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-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed