SCHEMBL8554874

SCHEMBL8554874

O=C1COc2ccccc2N1Cc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
TSHR P16473 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP1A2 P05177 1/20 0.62
GAA P10253 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GRM5 P41594 2/20 0.61
DRD4 P21917 1/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CASP6 P55212 1/20 0.53
XIAP P98170 1/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL8556616 0.89 TSHR (0.65) USP2TSHRL3MBTL1CYP1A2GAA
SCHEMBL8552768 0.86 BRD4 (0.61) USP2TSHRL3MBTL1CYP1A2GAA
SCHEMBL27377932 0.85 CYP1A2 (0.51) USP2TSHRL3MBTL1CYP1A2GAA
SCHEMBL27377925 0.81 SLC5A1 (0.48) USP2TSHRL3MBTL1CYP1A2GAA
SCHEMBL29790799 0.80 MAPT (0.54) USP2KMT2AMEN1LMNAMAPT
SCHEMBL18581261 0.80 MAPT (0.54) USP2KMT2AMEN1LMNAMAPT
SCHEMBL31667554 0.80 L3MBTL1 (0.70) USP2TSHRL3MBTL1GAADRD4
SCHEMBL8556518 0.80 TSHR (0.60) USP2TSHRL3MBTL1GRM5DRD4
SCHEMBL12107887 0.79 CYP2C9 (0.53) USP2CYP1A2GAACYP2C9CYP2C19
SCHEMBL8553180 0.78 L3MBTL1 (0.55) TSHRL3MBTL1KMT2AMAPTALDH1A1

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