SCHEMBL9832124

SCHEMBL9832124

CCOC(=O)C1CN(c2cc(F)c(F)cc2F)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.39
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9830331 0.86 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL10408449 0.86 ALDH1A1 (0.43) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9830476 0.84 HTT (0.45) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL10408078 0.83 ALDH1A1 (0.42) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9829380 0.82 ALDH1A1 (0.45) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9829912 0.82 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9832166 0.81 KDM4E (0.40) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9830340 0.81 ALDH1A1 (0.42) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9830882 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL10407350 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAHPGD

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 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
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