SCHEMBL8554854

SCHEMBL8554854

O=Cc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
XIAP P98170 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 9/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 0.89 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL8553542 0.85 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL8553538 0.85 TSHR (0.49) TSHRPPARG
SCHEMBL7468643 0.85 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL8554111 0.84 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1XIAPPPARG
SCHEMBL8605562 0.84 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL8557074 0.83 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1XIAPPPARG
SCHEMBL8551630 0.83 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1XIAPMEN1
SCHEMBL7468721 0.82 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7470870 0.82 PPARG (0.42) TSHRSMN1; SMN2ALDH1A1XIAPMEN1

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