SCHEMBL18952941

SCHEMBL18952941

CC(Oc1c(Br)cc(Br)c2cccnc12)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
RXFP1 Q9HBX9 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 7/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 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
SCHEMBL4455766 0.82 KDM4E (0.53) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL18095730 0.79 ALDH1A1 (0.59) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL620812 0.74 KDM4E (0.57) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL11089239 0.74 ALDH1A1 (0.59) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL9442885 0.73 ALDH1A1 (0.58) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL5451976 0.71 KDM4E (0.54) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL3751481 0.71 HSD17B10 (0.43) ALDH1A1NPSR1MEN1KMT2ATDP1
SCHEMBL28886094 0.70 KDM4E (0.56) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL5456620 0.70 KDM4E (0.58) ALDH1A1RXFP1NPSR1KDM4EMAPT
SCHEMBL6775260 0.70 KDM4E (0.51) ALDH1A1RXFP1NPSR1KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386498-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2018-10-17 EP claimed
WO-2017098467-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-06-15 WO claimed
US-20180369186-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2018-12-27 US disclosed
EP-3386498-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2018-10-17 EP disclosed
WO-2017098467-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-06-15 WO disclosed