SCHEMBL9825352

SCHEMBL9825352

O=C(NCC1CC(Br)=NO1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.68
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4598758 0.92 TGM2 (0.62) TGM2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL5141369 0.90 TGM2 (0.60) TGM2LMNASMN1; SMN2HTT
SCHEMBL5141370 0.90 TGM2 (0.60) TGM2LMNASMN1; SMN2HTT
SCHEMBL9825601 0.86 TGM2 (0.53) TGM2LMNASMN1; SMN2CYP1A2HTT
SCHEMBL6004049 0.86 TGM2 (0.64) TGM2CYP1A2
SCHEMBL1103747 0.86 TGM2 (0.72) TGM2CYP1A2
SCHEMBL1091898 0.86 TGM2 (0.72) TGM2CYP1A2
SCHEMBL1091900 0.86 TGM2 (0.72) TGM2CYP1A2
SCHEMBL9825944 0.86 TGM2 (0.56) TGM2LMNASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1367897 0.85 TGM2 (0.63) TGM2LMNASMN1; SMN2CYP1A2HTT

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 6 patents. 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
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed