SCHEMBL9830613

SCHEMBL9830613

CCOC(=O)CCNc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TOP2A P11388 1/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.43
MAPK14 Q16539 1/20 0.43
GAA P10253 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL9831301 0.89 TSHR (0.46) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9830840 0.84 TOP2A (0.45) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL9829793 0.82 TOP2A (0.53) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9829162 0.81 TOP2A (0.51) MEN1LMNAKMT2AMAPTKDM4E
SCHEMBL9830217 0.80 MAPT (0.55) MEN1ALDH1A1LMNAKMT2AMAPT
SCHEMBL8231868 0.78 ALDH1A1 (0.54) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL2702706 0.78 NPC1 (0.53) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9830975 0.77 TOP2A (0.47) ALDH1A1LMNAL3MBTL1MAPTKDM4E
Hydrochloric Acid SCHEMBL6225430 0.77 NPC1 (0.52) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL9832916 0.77 TOP2A (0.48) ALDH1A1L3MBTL1MAPTKDM4ETOP2A

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