SCHEMBL9827156

SCHEMBL9827156

O=C(OCc1ccccc1)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.49
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL4598760 0.91 TGM2 (0.45) TGM2TSHRSMN1; SMN2LMNAMEN1
SCHEMBL4934993 0.87 TGM2 (0.49) TGM2
SCHEMBL4934061 0.87 TGM2 (0.49) TGM2
SCHEMBL4598577 0.86 TGM2 (0.44) TGM2SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9825628 0.84 TGM2 (0.40) TGM2TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL4598860 0.84 TGM2 (0.42) TGM2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9826313 0.83 TGM2 (0.42) TGM2
SCHEMBL9825676 0.83 TGM2 (0.47) TGM2TSHR
SCHEMBL4950332 0.82 TGM2 (0.47) TGM2TSHR
SCHEMBL9826686 0.82 TGM2 (0.41) TGM2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed