SCHEMBL470198

SCHEMBL470198

Cc1cc(Cl)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MAPK8 P45983 1/20 0.44
STS P08842 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 2/20 0.42
MAP4K4 O95819 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 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
SCHEMBL6484817 0.91 SMARCA2 (0.52) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL470474 0.89 SMARCA2 (0.48) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL31129872 0.88 SMARCA2 (0.52) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL456852 0.83 NR1H2 (0.48) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL459965 0.82 MAPT (0.62) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL30965579 0.82 MAPT (0.53) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL993225 0.82 MAPT (0.55) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL29508821 0.82 MAPT (0.55) MEN1KMT2ASMARCA2SMARCA4PBRM1
SCHEMBL457432 0.81 MEN1 (0.51) MEN1KMT2AMAPK8STSMAPT
SCHEMBL2366297 0.80 GPR119 (0.52) MEN1KMT2ASMARCA2SMARCA4PBRM1

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-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed