SCHEMBL5700869

SCHEMBL5700869

COC(=O)CC(NC(C)=O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
TNF P01375 1/20 0.39
TACR3 P29371 1/20 0.39

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
SCHEMBL5700864 1.00 KMT2A (0.44) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL1460374 0.84 KMT2A (0.55) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL1144523 0.84 KMT2A (0.55) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL16348950 0.84 KMT2A (0.55) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5700874 0.82 F2 (0.40) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL5700932 0.81 MEN1 (0.60) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL4029006 0.81 TSHR (0.41) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL5700925 0.81 MEN1 (0.60) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL4029008 0.81 TSHR (0.41) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL6513372 0.81 CYP2D6 (0.42) KMT2AMEN1POLBMAPTRAB9A

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
CN-113845485-B Amino acid derivative and preparation method and application thereof 湖南中医药大学 2023-03-14 CN disclosed
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed