SCHEMBL2781069

SCHEMBL2781069

CCC1(CC)c2cc(C=O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
ALDH1A3 P47895 4/20 0.38
ALDH3A1 P30838 4/20 0.38
CYP2A6 P11509 2/20 0.33
PDK2 Q15119 2/20 0.33
CYP2A13 Q16696 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 2/20 0.33
PSMD14 O00487 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
MMP2 P08253 1/20 0.33
RAD52 P43351 1/20 0.33
CASP6 P55212 1/20 0.33
UBE2N P61088 1/20 0.33
APP P05067 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL16631150 0.88 PDK2 (0.41) ALDH1A1PDK2MEN1KMT2AUSP2
SCHEMBL13372219 0.86 ALDH1A1 (0.37) ALDH1A1ALDH1A3ALDH3A1CYP2A6PDK2
SCHEMBL13658650 0.86 RELA (0.44) ALDH1A1PDK2MEN1KMT2AUSP2
SCHEMBL28355417 0.85 MMP2 (0.36) ALDH1A1ALDH1A3ALDH3A1MEN1KMT2A
SCHEMBL6775885 0.85 MMP2 (0.36) ALDH1A1ALDH1A3ALDH3A1MEN1KMT2A
SCHEMBL13658654 0.85 RELA (0.45) ALDH1A1PDK2MEN1KMT2AUSP2
SCHEMBL13414844 0.84 PDK2 (0.36) ALDH1A1PDK2MEN1KMT2AUSP2
SCHEMBL13414892 0.84 PDK2 (0.36) ALDH1A1PDK2MEN1KMT2AUSP2
SCHEMBL14427916 0.84 ALDH1A1 (0.35) ALDH1A1ALDH1A3ALDH3A1CYP2A6PDK2
SCHEMBL27872806 0.83 ALDH1A3 (0.36) ALDH1A1ALDH1A3ALDH3A1CYP2A6PDK2

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
WO-2010140801-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-09 WO disclosed
WO-2010140801-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-09 WO disclosed