SCHEMBL8554130

SCHEMBL8554130

NCCc1cccc(OCCC2Oc3ccccc3N(Cc3cc(Cl)cc(Cl)c3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 15/20 0.38

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
SCHEMBL8551630 0.94 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8595934 0.94 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8596034 0.88 TSHR (0.48) TSHRALDH1A1PPARG
SCHEMBL7468721 0.87 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8594197 0.86 TSHR (0.45) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8551698 0.84 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2PPARG
SCHEMBL8554282 0.83 TSHR (0.48) TSHRPPARG
SCHEMBL8557746 0.82 TSHR (0.45) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7468643 0.82 TSHR (0.42) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8551428 0.81 TSHR (0.50) TSHRPPARG

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