SCHEMBL4038075

SCHEMBL4038075

NC(=O)C1C[N+](Cc2ccco2)(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
USP2 O75604 2/20 0.47
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4032958 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPSR1LMNA
SCHEMBL4041586 0.72 FKBP1A (0.41) ALDH1A1NPSR1
SCHEMBL4038466 0.69 ALDH1A1 (0.43) ALDH1A1USP2KMT2AHTTMEN1
SCHEMBL4035235 0.67 ALDH1A1 (0.76) ALDH1A1USP2POLBKMT2AHTT
SCHEMBL4033188 0.67 ALDH1A1 (0.46) ALDH1A1POLBKMT2AHTTKDM4E
SCHEMBL4036533 0.64 MMP3 (0.43) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL695071 0.64 MMP2 (0.59) ALDH1A1HTTMAPTNPSR1LMNA
SCHEMBL17833176 0.64 MMP2 (0.59) ALDH1A1HTTMAPTNPSR1LMNA
SCHEMBL8718942 0.63 LMNA (0.58) ALDH1A1USP2HTTMAPTHSD17B10
SCHEMBL4704780 0.61 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTTSHR

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