SCHEMBL11550249

SCHEMBL11550249

O=C(Nc1ccc(Nc2ccc(Cl)cc2)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
POLB P06746 4/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 1/20 0.68
KDM4E B2RXH2 2/20 0.66
MAPK1 P28482 2/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
APAF1 O14727 1/20 0.66
MITF O75030 1/20 0.66
HTT P42858 1/20 0.66
PTPN1 P18031 2/20 0.65
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
EPHX1 P07099 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMO Q99835 1/20 0.63
SIRT1 Q96EB6 1/20 0.62
PTGS2 P35354 1/20 0.62

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
SCHEMBL197003 0.94 MEN1 (0.73) MEN1KMT2APOLBALDH1A1HPGD
Iodide SCHEMBL30758572 0.93 MEN1 (0.71) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL18330583 0.91 PTPN1 (0.77) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL9479686 0.89 SIRT1 (0.78) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL9480256 0.89 SIRT1 (0.78) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL2117869 0.87 PTPN1 (0.71) MEN1KMT2APOLBALDH1A1HPGD
N-Phenylbenzamide SCHEMBL8651257 0.87 SIRT1 (0.74) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL11124245 0.85 MEN1 (0.83) MEN1KMT2APOLBKDM4EHTT
SCHEMBL10939703 0.85 NPC1 (0.76) MEN1KMT2APOLBMAPK1MAPT
SCHEMBL9767723 0.85 NPC1 (0.76) MEN1KMT2APOLBMAPK1MAPT

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
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed