SCHEMBL9830759

SCHEMBL9830759

CCOC(=O)c1c(OC)cc(CN2CCC(=O)C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9829593 0.80 KCNK3 (0.40) LMNAMAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL9829266 0.79 CA9 (0.60) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL9831086 0.79 POLB (0.44) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL9829914 0.78 HSD17B2 (0.51) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL9831170 0.77 KMT2A (0.59) LMNAMAPTKMT2AMEN1ADORA1
SCHEMBL9829764 0.76 MEN1 (0.45) LMNAMAPTKMT2AMEN1ADORA1
SCHEMBL9829278 0.75 KMT2A (0.58) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL9830068 0.73 KMT2A (0.49) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL9829790 0.72 ALDH1A1 (0.41) LMNAMAPTKMT2AMEN1ADORA1
SCHEMBL9829064 0.71 ALDH1A1 (0.43) LMNAMAPTKMT2AMEN1KDM4E

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 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