SCHEMBL9833258

SCHEMBL9833258

CCOC(=O)C1CN(c2ccc(Cl)c(Cl)c2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.44
CASP3 P42574 1/20 0.44
NOTUM Q6P988 2/20 0.43
RAB9A P51151 1/20 0.42
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRM1 P35372 1/20 0.40
LGMN Q99538 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10408306 0.88 ALDH1A1 (0.41) MAPTMAPK1HTTALDH1A1KDM4E
SCHEMBL9831685 0.86 LMNA (0.46) MAPTMAPK1HTTALDH1A1KDM4E
SCHEMBL9830737 0.85 ALDH1A1 (0.47) MAPTMAPK1HTTALDH1A1KDM4E
SCHEMBL9832750 0.85 ALDH1A1 (0.48) MAPTHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9829302 0.85 ALDH1A1 (0.43) MAPTHTTALDH1A1KDM4ETSHR
SCHEMBL861735 0.83 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDCASP3
SCHEMBL9831584 0.83 LGMN (0.40) MAPTMAPK1HTTALDH1A1KDM4E
SCHEMBL9829380 0.83 ALDH1A1 (0.45) MAPTHTTALDH1A1KDM4ETSHR
SCHEMBL10407350 0.82 ALDH1A1 (0.41) MAPTMAPK1HTTALDH1A1KDM4E
SCHEMBL9830725 0.82 CA12 (0.46) MAPTMAPK1HTTALDH1A1KDM4E

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 5 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
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