SCHEMBL9830197

SCHEMBL9830197

CCOC(=O)c1ccc(N2CCC(=O)C2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL9832169 0.85 PDE3B (0.40) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9832079 0.85 PDE3B (0.40) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9829582 0.85 PDE3B (0.40) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9831970 0.84 MAPT (0.39) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9832735 0.79 ALDH1A1 (0.45) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9829654 0.79 KMT2A (0.45) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9830967 0.78 SRD5A1 (0.49) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL9830224 0.78 MAPT (0.55) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9831799 0.78 MAPT (0.49) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL9832359 0.77 BAZ2B (0.47) MAPTKDM4EALDH1A1TSHRMEN1

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 2 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