SCHEMBL23073676

SCHEMBL23073676

CCc1cc(C(=O)NC)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
S1PR2 O95136 1/20 0.49
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL23073659 0.86 GPR119 (0.53) LMNAKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL707999 0.86 LMNA (0.56) LMNAS1PR2KMT2ASMN1; SMN2MEN1
SCHEMBL20339473 0.86 SMN1; SMN2 (0.52) LMNAS1PR2KMT2ASMN1; SMN2MEN1
SCHEMBL27202624 0.85 L3MBTL1 (0.56) LMNAS1PR2KMT2ASMN1; SMN2MEN1
SCHEMBL30019168 0.83 S1PR2 (0.48) LMNAS1PR2KMT2ASMN1; SMN2MEN1
SCHEMBL25093937 0.83 S1PR2 (0.48) LMNAS1PR2KMT2ASMN1; SMN2MEN1
SCHEMBL28008432 0.82 SMN1; SMN2 (0.50) LMNAKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL3846595 0.82 ESR2 (0.51) LMNAKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL24992422 0.81 NR1H2 (0.52) LMNAKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL3856804 0.80 ALDH1A1 (0.52) LMNAKMT2ASMN1; SMN2MEN1HTT

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-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed