SCHEMBL9832079

SCHEMBL9832079

CCOC(=O)c1ccc(N2CCC(=O)C2)c(Br)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.40
PDE3A Q14432 5/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL9830197 0.85 MAPT (0.41) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9829582 0.82 PDE3B (0.40) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9832169 0.82 PDE3B (0.40) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9831970 0.81 MAPT (0.39) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9831758 0.80 KDM4E (0.42) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9830729 0.79 SRD5A1 (0.47) MAPTKDM4EALDH1A1POLBHSP90AA1
SCHEMBL9832167 0.79 MAPT (0.50) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9832735 0.77 ALDH1A1 (0.45) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9830224 0.76 MAPT (0.55) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL9830967 0.76 SRD5A1 (0.49) MAPTKDM4EALDH1A1MEN1POLB

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