SCHEMBL7465291

SCHEMBL7465291

N=C(N)NCc1ccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 16/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7476790 0.92 TSHR (0.45) TSHRHTTALDH1A1SMN1; SMN2PPARG
SCHEMBL8552777 0.91 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2PPARGTP53
SCHEMBL8601638 0.87 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL8556015 0.86 HTT (0.53) TSHRHTTPPARG
SCHEMBL8602935 0.85 TSHR (0.46) TSHRHTTALDH1A1SMN1; SMN2PPARG
SCHEMBL8555379 0.85 PPARG (0.48) TSHRHTTALDH1A1SMN1; SMN2PPARG
SCHEMBL8602443 0.84 HTT (0.51) TSHRHTTALDH1A1PPARG
SCHEMBL7471327 0.84 TP53 (0.40) TSHRHTTALDH1A1SMN1; SMN2PPARG
SCHEMBL8599910 0.83 GSK3B (0.42) PPARGTP53
SCHEMBL7470321 0.82 NPFFR1 (0.36) TSHRHTTALDH1A1TP53

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 claimed
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
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