SCHEMBL9829593

SCHEMBL9829593

CCOC(=O)c1c(OC)cc(N2CCC(=O)C2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
LMNA P02545 6/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.38
HSD17B2 P37059 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9831487 0.85 CYP3A4 (0.47) LMNANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL9831799 0.84 MAPT (0.49) KCNK3LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9830345 0.83 NR1H2 (0.41) LMNANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL9831828 0.83 NR1H2 (0.41) LMNANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL9829312 0.83 MAPT (0.43) NR1H2NR1H3MAPTSMN1; SMN2ALDH1A1
SCHEMBL9830759 0.80 LMNA (0.47) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9829654 0.78 KMT2A (0.45) KCNK3LMNAMAPTALDH1A1NPSR1
SCHEMBL9831632 0.77 HSD17B2 (0.53) LMNAMAPTSMN1; SMN2ALDH1A1HSD17B2
SCHEMBL9829549 0.76 MEN1 (0.48) LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL9829081 0.76 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1CYP3A4HPGD

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 4 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