SCHEMBL7471998

SCHEMBL7471998

O=C1C(CCO)Oc2ccccc2N1Cc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.44
XIAP P98170 1/20 0.41
PPARG P37231 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSK3B P49841 3/20 0.36
ADK P55263 2/20 0.36

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
SCHEMBL7476860 0.85 TSHR (0.64) TSHRALDH1A1SMN1; SMN2HTTPPARG
SCHEMBL7473291 0.81 TSHR (0.54) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7472920 0.81 TSHR (0.56) TSHRALDH1A1SMN1; SMN2HTTPPARG
SCHEMBL7471315 0.81 ALDH1A1 (0.68) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7472305 0.81 TSHR (0.53) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7476998 0.80 TSHR (0.52) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7476552 0.79 GSK3B (0.54) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7470492 0.78 TSHR (0.53) TSHRALDH1A1SMN1; SMN2HTTXIAP
SCHEMBL7477205 0.78 KMT2A (0.67) TSHRALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL7473140 0.78 TSHR (0.50) TSHRALDH1A1SMN1; SMN2HTTXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
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