SCHEMBL9829549

SCHEMBL9829549

COc1cc(N2CCC(=O)C2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 3/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LY96 Q9Y6Y9 1/20 0.41
HSD17B3 P37058 1/20 0.40
DPP4 P27487 2/20 0.39

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
SCHEMBL10805715 0.90 MEN1 (0.50) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL9830621 0.82 MAOB (0.52) L3MBTL1MAOBLMNADPP4
SCHEMBL21221367 0.81 MAOB (0.47) MAOB
SCHEMBL9828629 0.79 ADRB1 (0.51) MAOB
SCHEMBL9829593 0.76 KCNK3 (0.40) KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL9829916 0.74 ALDH1A1 (0.55) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL9832439 0.73 KDM4E (0.44) MEN1KMT2AGAALMNA
SCHEMBL9829266 0.73 CA9 (0.60) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL5014367 0.73 PDE4B (0.56)
SCHEMBL10407582 0.73 ALDH1A1 (0.46) KMT2AL3MBTL1LMNASMN1; SMN2

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