SCHEMBL9830529

SCHEMBL9830529

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 1/20 0.38
LTA4H P09960 2/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL9831403 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL10408046 0.90 SMN1; SMN2 (0.47) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL9831853 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL9829742 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL9829786 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL9831191 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL9831773 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL10407312 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5LTA4HCA1CA2
SCHEMBL10407495 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL10407580 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALOX5LTA4HCA1CA2

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 3 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 disclosed
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 disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed