SCHEMBL7845571

SCHEMBL7845571

COC(=O)CCNC(=O)c1ccc(Br)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7848395 0.83 LMNA (0.50) LMNACYP1A2L3MBTL1
SCHEMBL7849073 0.75 HDAC3 (0.55) LMNAHDAC1HDAC2HDAC3HDAC4
SCHEMBL7843475 0.75 CREBBP (0.55) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4615581 0.70 NPSR1 (0.67) LMNAALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5012300 0.69 PRSS1 (0.77) SMN1; SMN2LMNAPRSS1CTSGCTRB1
SCHEMBL2273935 0.68 PRSS1 (0.56) MAPTSMN1; SMN2PRSS1CTSGCTRB1
SCHEMBL14120823 0.68 POLB (0.62) MAPTSMN1; SMN2LMNAPRSS1CTSG
SCHEMBL19948182 0.68 PRSS1 (0.51) MAPTSMN1; SMN2LMNAHTTPRSS1
SCHEMBL14054902 0.68 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22273087 0.68 HPGD (0.58) MAPTSMN1; SMN2LMNAHTTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed