SCHEMBL8554156

SCHEMBL8554156

O=C1C(CCOc2ccc(C3CNC(=O)[S+]3[O-])cc2)Oc2ccccc2N1Cc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
XIAP P98170 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 13/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8557746 0.81 TSHR (0.45) TSHRXIAPMEN1KMT2APPARG
SCHEMBL7470870 0.79 PPARG (0.42) TSHRXIAPMEN1KMT2APPARG
SCHEMBL8554854 0.79 TSHR (0.46) TSHRXIAPMEN1KMT2APPARG
SCHEMBL8553542 0.78 TSHR (0.49) TSHRXIAPMEN1KMT2APPARG
SCHEMBL8553538 0.78 TSHR (0.49) TSHRPPARG
SCHEMBL7468643 0.77 TSHR (0.42) TSHRXIAPMEN1KMT2APPARG
SCHEMBL8554111 0.77 TSHR (0.48) TSHRXIAPPPARGSMN1; SMN2ALDH1A1
SCHEMBL8605562 0.77 TSHR (0.50) TSHRXIAPMEN1KMT2APPARG
SCHEMBL8557074 0.76 TSHR (0.47) TSHRXIAPPPARGSMN1; SMN2ALDH1A1
SCHEMBL8551630 0.75 TSHR (0.43) TSHRXIAPMEN1KMT2APPARG

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 claimed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO claimed