SCHEMBL4034722

SCHEMBL4034722

CC(CNC(=O)C1CN(S(=O)(=O)c2ccc3ncccc3c2)CCN1C(=O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
F2 P00734 6/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
ADAM17 P78536 1/20 0.41
TP53 P04637 1/20 0.40
CHRM5 P08912 2/20 0.39
CTSS P25774 1/20 0.38
ATM Q13315 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CHRM1 P11229 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
SCHEMBL4034513 0.88 F10 (0.44) F10F2ADAM17CHRM5CTSS
SCHEMBL4033974 0.87 MAPT (0.47) LMNATP53
SCHEMBL4036877 0.84 ALDH1A1 (0.52) POLBLMNATP53CHRM5
SCHEMBL4033586 0.83 ALDH1A1 (0.55) POLBLMNA
SCHEMBL4035740 0.81 ALDH1A1 (0.51) POLBLMNA
SCHEMBL4041186 0.81 CHRM5 (0.45) F10F2ADAM17CHRM5ATM
SCHEMBL4039378 0.80 MMP1 (0.52) POLBLMNA
SCHEMBL4035627 0.79 ALDH1A1 (0.48) POLBLMNA
SCHEMBL4035716 0.79 ALDH1A1 (0.46) POLBLMNATP53
SCHEMBL4032869 0.77 POLB (0.46) POLBLMNAADAM17TP53ATM

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed