SCHEMBL8553180

SCHEMBL8553180

CS(=O)(=O)Nc1cccc(CN2C(=O)COc3ccccc32)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48
SCN9A Q15858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR3C1 P04150 3/20 0.45
PGR P06401 2/20 0.45
NR3C2 P08235 2/20 0.45
AR P10275 2/20 0.45
ALOX12 P18054 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 2/20 0.44
NPY1R P25929 1/20 0.44
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43

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
SCHEMBL755818 0.86 SCN9A (0.56) L3MBTL1SCN9ANR3C1BRD4
SCHEMBL4675455 0.79 HTR6 (0.69) BRD4
SCHEMBL8554874 0.78 USP2 (0.63) L3MBTL1TSHRMAPTKDM4EALDH1A1
SCHEMBL8556616 0.73 TSHR (0.65) L3MBTL1TSHRMAPTALDH1A1POLB
SCHEMBL2271019 0.72 SCN9A (0.60) MAPTSCN9AKDM4EALDH1A1ALOX12
SCHEMBL26711297 0.72 GSK3A (0.57) TSHRALDH1A1NR3C1POLBKMT2A
SCHEMBL31667554 0.71 L3MBTL1 (0.70) L3MBTL1TSHRMAPTALDH1A1TP53
SCHEMBL2309564 0.71 SCN9A (0.54) SCN9A
SCHEMBL8554715 0.71 L3MBTL1 (1.00) L3MBTL1TSHRMAPTALDH1A1TP53
SCHEMBL474614 0.70 TSHR (0.60) L3MBTL1TSHRALDH1A1ALOX12TP53

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