SCHEMBL9830882

SCHEMBL9830882

CCOC(=O)C1CN(c2cc(Br)c(Br)cc2Br)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TLR4 O00206 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LGMN Q99538 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL9828691 0.86 OPRK1 (0.40) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9831751 0.86 TDP2 (0.40) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9830727 0.84 KMT2A (0.42) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9831584 0.82 LGMN (0.40) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9829877 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9832894 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9832074 0.81 KMT2A (0.38) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9831825 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL10407350 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9832124 0.80 MAPT (0.41) ALDH1A1MAPTKDM4EHSD17B10MEN1

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