SCHEMBL4045052

SCHEMBL4045052

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)Nc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.42
BCHE P06276 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
AKT1 P31749 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
STAT3 P40763 1/20 0.39
MMP2 P08253 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP3 P08254 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
SCHEMBL4039656 0.92 HDAC1 (0.42) LMNAHTTPOLBTAAR1MAPT
SCHEMBL4043128 0.88 PKM (0.48) LMNAHTTSMN1; SMN2KMT2A
SCHEMBL4040058 0.83 ALDH1A1 (0.45) SMN1; SMN2POLBKMT2A
SCHEMBL4046147 0.80 TSHR (0.44) HTTSMN1; SMN2HPGDKMT2A
SCHEMBL4044987 0.79 MMP8 (0.51) KMT2A
SCHEMBL4042233 0.77 PKM (0.48) SMN1; SMN2HPGDKMT2ANPSR1
SCHEMBL4342649 0.76 SMN1; SMN2 (0.52) LMNAHTTSMN1; SMN2POLBMAPT
SCHEMBL4039621 0.76 CCNA2 (0.46) SMN1; SMN2JAK2ATM
SCHEMBL4041195 0.75 MMP1 (0.41) BCHE
SCHEMBL4040963 0.74 REN (0.47) LMNAHPGDKMT2A

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed