SCHEMBL9830331

SCHEMBL9830331

CCOC(=O)C1CN(c2ccc(F)cc2F)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 2/20 0.38
GABRP O00591 1/20 0.38

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
SCHEMBL10408449 0.91 ALDH1A1 (0.43) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9832124 0.86 MAPT (0.41) ALDH1A1TDP1MAPTL3MBTL1LMNA
SCHEMBL9830476 0.85 HTT (0.45) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL10408078 0.85 ALDH1A1 (0.42) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9832087 0.83 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9830609 0.81 LMNA (0.42) ALDH1A1TDP1MAPTLMNAMEN1
SCHEMBL9832166 0.81 KDM4E (0.40) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL9830389 0.81 MAPT (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9830340 0.80 ALDH1A1 (0.42) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9829380 0.80 ALDH1A1 (0.45) ALDH1A1TDP1MAPTMEN1KMT2A

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