SCHEMBL8554042

SCHEMBL8554042

COC(=O)c1ccc(CN2C(=O)COc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.56
TSHR P16473 3/20 0.56
TP53 P04637 2/20 0.54
POLB P06746 2/20 0.54
SIRT1 Q96EB6 1/20 0.54
CBX7 O95931 2/20 0.53
CDYL2 Q8N8U2 2/20 0.53
CDYL Q9Y232 2/20 0.53
CDY1; CDY1B Q9Y6F8 2/20 0.53
GAA P10253 1/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL5914800 0.86 ITGB3 (0.56) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL30248614 0.86 ITGB3 (0.56) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL31411713 0.86 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2ATSHRLMNA
SCHEMBL4506469 0.85 ALDH1A1 (0.69) L3MBTL1ALDH1A1KMT2ATSHRTP53
SCHEMBL5340699 0.83 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL8554715 0.83 L3MBTL1 (1.00) L3MBTL1ALDH1A1KMT2ATSHRTP53
SCHEMBL18581568 0.82 L3MBTL1 (0.65) L3MBTL1ALDH1A1KMT2ATP53POLB
SCHEMBL18581402 0.82 MAPT (0.51) L3MBTL1ALDH1A1KMT2ATSHRPOLB
SCHEMBL31667554 0.81 L3MBTL1 (0.70) L3MBTL1ALDH1A1KMT2ATSHRTP53
SCHEMBL18581565 0.80 MAPT (0.49) L3MBTL1ALDH1A1KMT2ATSHRTP53

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed