SCHEMBL9829912

SCHEMBL9829912

CCOC(=O)C1CN(c2cc(F)c(F)c(F)c2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV1 Q8NER1 1/20 0.36
TLR4 O00206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LGMN Q99538 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
SCHEMBL9830340 0.88 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9829380 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9831481 0.85 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9829302 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10407562 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9832087 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ARECQL
SCHEMBL10408078 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9831825 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10408306 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9832124 0.82 MAPT (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A

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