SCHEMBL9831191

SCHEMBL9831191

CCOC(=O)CCN(CC(=O)O)c1cc(Br)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5 P09917 1/20 0.35
LTA4H P09960 2/20 0.35
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9830765 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL9831773 0.90 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL9829786 0.86 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1ALOX5LTA4HCYP4F2
SCHEMBL10408046 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1ALOX5
SCHEMBL9831675 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL10407546 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL9832100 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKMT2ANPSR1
SCHEMBL9830014 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL9830529 0.80 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1ALOX5LTA4HCYP4F2
SCHEMBL10408081 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA

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