SCHEMBL4035100

SCHEMBL4035100

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 6/20 0.46
NPC1 O15118 1/20 0.44
HTT P42858 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
NOS2 P35228 1/20 0.40

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
SCHEMBL4038551 0.89 MMP1 (0.45)
SCHEMBL4035095 0.88 LMNA (0.60) MAPTKMT2AMEN1LMNANPC1
SCHEMBL4037487 0.84 MAPT (0.49) MAPTKMT2AMEN1LMNAHTT
SCHEMBL4032375 0.84 CA12 (0.46) LMNA
SCHEMBL4038410 0.82 MAPT (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL4032560 0.82 MMP1 (0.43)
SCHEMBL4034484 0.79 MMP1 (0.44)
SCHEMBL4036678 0.75 CA12 (0.47)
SCHEMBL4032099 0.75 MAPK1 (0.55) MAPTKMT2ASMN1; SMN2ALDH1A1PKM
SCHEMBL4035648 0.74 MMP1 (0.47)

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