SCHEMBL9829939

SCHEMBL9829939

CCOC(=O)CCN(CC(=O)O)c1cc(Br)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PLA2G2A P14555 1/20 0.38
BLM P54132 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.35
LTA4H P09960 2/20 0.35
PPARG P37231 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
MAPT P10636 2/20 0.34
GPR35 Q9HC97 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4Z1 Q86W10 2/20 0.34
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9830030 0.92 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2C19CYP3A4ALOX5
SCHEMBL9831024 0.88 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2ABLMCYP1A2CYP2C19
SCHEMBL10408081 0.87 SMN1; SMN2 (0.48) SMN1; SMN2ALOX5LTA4HPPARGALDH1A1
SCHEMBL10407546 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C19ALOX5LTA4H
SCHEMBL9831883 0.86 SMN1; SMN2 (0.44) SMN1; SMN2PLA2G2ABLMALOX5LTA4H
SCHEMBL9830014 0.85 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP2C19CYP3A4ALOX5
SCHEMBL10407589 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2ABLMALOX5LTA4H
SCHEMBL10407235 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2ABLMALOX5LTA4H
SCHEMBL9832100 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALOX5LTA4HPPARGALDH1A1
SCHEMBL9831533 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2ABLMCYP1A2ALOX5

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