SCHEMBL7476790

SCHEMBL7476790

N=C(N)NCCc1ccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
PPARG P37231 15/20 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
SCHEMBL7471327 0.92 TP53 (0.40) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL7465291 0.92 TSHR (0.46) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL7470321 0.90 NPFFR1 (0.36) TSHRHTTALDH1A1TP53
SCHEMBL8599910 0.89 GSK3B (0.42) TP53PPARG
Hydrochloric Acid SCHEMBL7462740 0.89 NPFFR1 (0.36) TSHRHTTALDH1A1TP53
SCHEMBL8603773 0.89 PPARG (0.44) TP53PPARG
SCHEMBL7475653 0.89 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8595844 0.88 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8604494 0.88 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2TP53PPARG
SCHEMBL8557727 0.88 GSK3B (0.47) TSHRALDH1A1SMN1; SMN2TP53PPARG

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