SCHEMBL9829544

SCHEMBL9829544

CCOC(=O)CCNc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.53
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LTA4H P09960 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41
NLRP3 Q96P20 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL9829781 0.88 TOP2A (0.51) TOP2ACYP4F2CYP4A11ALDH1A1LTA4H
SCHEMBL31393686 0.86 TOP2A (0.52) TOP2ACYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL29136436 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL9445986 0.84 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2MAPTHPGD
SCHEMBL9830404 0.84 MAPT (0.56) TOP2ACYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL22074033 0.83 TOP2A (0.43) TOP2ACYP4F2CYP4A11ALDH1A1LTA4H
SCHEMBL9831315 0.82 APEX1 (0.47) TOP2ACYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL9831144 0.82 APEX1 (0.47) TOP2AALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8115908 0.82 TOP2A (0.51) TOP2ACYP4F2CYP4A11ALDH1A1LTA4H
SCHEMBL9832645 0.82 GAA (0.56) TOP2AALDH1A1L3MBTL1SMN1; SMN2KMT2A

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