SCHEMBL9830609

SCHEMBL9830609

CCOC(=O)C1CN(c2cccc(F)c2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 7/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM2 Q14416 1/20 0.40
POLB P06746 1/20 0.39
BPTF Q12830 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 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
SCHEMBL31067226 0.88 LMNA (0.43) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL9830218 0.88 ALDH1A1 (0.50) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL9830340 0.88 ALDH1A1 (0.42) ALDH1A1TSHRHPGDMAPTPOLB
SCHEMBL9830737 0.87 ALDH1A1 (0.47) LMNAALDH1A1TSHRMAPTNPSR1
SCHEMBL9832163 0.86 ALDH1A1 (0.47) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL9831793 0.86 ALDH1A1 (0.47) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL9832087 0.85 ALDH1A1 (0.43) LMNAALDH1A1TSHRMAPTNPSR1
SCHEMBL9829085 0.85 ALDH1A1 (0.46) LMNAALDH1A1TSHRHPGDMAPT
SCHEMBL9829380 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHPGDMAPTNPSR1
SCHEMBL9829912 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTNPSR1HTT

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