SCHEMBL8557746

SCHEMBL8557746

NCc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XIAP P98170 1/20 0.42
GSK3B P49841 2/20 0.41
ADK P55263 2/20 0.41
PPARG P37231 6/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7468721 0.93 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8555694 0.92 ALDH1A1 (0.46) TSHRMAOBSMN1; SMN2ALDH1A1GSK3B
SCHEMBL7468643 0.92 TSHR (0.42) TSHRMAOBSMN1; SMN2ALDH1A1MEN1
SCHEMBL8553538 0.89 TSHR (0.49) TSHRPPARG
SCHEMBL8554854 0.89 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8594197 0.89 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8551630 0.88 TSHR (0.43) TSHRMAOBSMN1; SMN2ALDH1A1MEN1
SCHEMBL8554111 0.87 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1XIAPPPARG
SCHEMBL8553542 0.87 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8601638 0.87 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed