SCHEMBL9831403

SCHEMBL9831403

CCOC(=O)CCN(CC(=O)OCC)c1cccc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
ALOX5 P09917 1/20 0.36
LTA4H P09960 3/20 0.36
PPARG P37231 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
EGFR P00533 1/20 0.33
ERBB3 P21860 1/20 0.33
F2R P25116 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9830529 0.92 SMN1; SMN2 (0.42) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL10408046 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL9829450 0.81 NLRP3 (0.43) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL9830765 0.79 ALDH1A1 (0.39) SMN1; SMN2CYP4F2CYP4A11PPARGMAPT
SCHEMBL9831675 0.79 ALDH1A1 (0.39) SMN1; SMN2CYP4F2CYP4A11PPARGMAPT
SCHEMBL9830282 0.77 ALDH1A1 (0.42) SMN1; SMN2PPARGTDP1MAPTTSHR
SCHEMBL9833415 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL9831307 0.75 PPARG (0.43) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL9831449 0.75 SMN1; SMN2 (0.61) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H
SCHEMBL9831853 0.74 SMN1; SMN2 (0.44) SMN1; SMN2CYP4F2CYP4A11ALOX5LTA4H

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-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed