SCHEMBL6512346

SCHEMBL6512346

O=C(O)CCN(Cc1cccc(Cc2ccccc2)c1)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
SLC1A5 Q15758 1/20 0.39
PTPN1 P18031 1/20 0.38
CXCL8 P10145 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SNCA P37840 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
SCHEMBL6511663 0.90 HTT (0.43) KMT2AMEN1HTTSLC1A5PTPN1
SCHEMBL6510100 0.88 FFAR1 (0.41) HTTMEP1BSLC1A5PTPN1PTGER1
SCHEMBL6511657 0.85 HDAC3 (0.50) LMNAKMT2AMEN1HTTMEP1B
SCHEMBL6510335 0.81 HTT (0.43) LMNAPKMKMT2AMEN1HTT
SCHEMBL6515044 0.81 ALDH1A1 (0.41) KMT2AMEN1MEP1BPTPN1ALDH1A1
SCHEMBL6509679 0.81 SMN1; SMN2 (0.45) LMNAPKMKMT2AMEN1HTT
SCHEMBL6511947 0.80 MTNR1A (0.47) LMNAKMT2AMEN1MEP1BPTPN1
SCHEMBL6508483 0.80 TSHR (0.45) KMT2AMEP1BALDH1A1SNCA
SCHEMBL6511151 0.79 RAB9A (0.43) LMNAPKMHTTMEP1BSLC1A5
SCHEMBL6514104 0.79 KMT2A (0.42) LMNAPKMKMT2AMEN1HTT

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed