SCHEMBL10069065

SCHEMBL10069065

Cc1ccccc1-n1ncnc1-c1ccc(-c2cc(-c3ccc(-c4ncnn4-c4ccccc4C)cc3)cc(-c3ccc(-c4ncnn4-c4ccccc4C)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.42
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
P2RX7 Q99572 2/20 0.38
NR3C2 P08235 1/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.34
MAPK14 Q16539 2/20 0.34
KMT2A Q03164 1/20 0.34
MITF O75030 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8512480 0.88 ALDH1A1 (0.56) ALDH1A1TSHRMAPTFLT3GSK3B
SCHEMBL10038565 0.86 ALDH1A1 (0.43) ALDH1A1TSHRMAPTFLT3GSK3B
SCHEMBL10038571 0.84 ALDH1A1 (0.39) ALDH1A1TSHRMAPTFLT3GSK3B
SCHEMBL20732566 0.75 KDM4E (0.39) ALDH1A1TSHRMAPTLMNAL3MBTL1
SCHEMBL20732536 0.74 MEN1 (0.40) ALDH1A1TSHRMAPTFLT3L3MBTL1
SCHEMBL20732635 0.71 TSHR (0.47) ALDH1A1TSHRMAPTP2RX7L3MBTL1
SCHEMBL11115115 0.69 P2RX7 (0.47) ALDH1A1TSHRP2RX7
SCHEMBL28215247 0.68 NPC1 (0.42) ALDH1A1TSHRMAPTGSK3BP2RX7
SCHEMBL7045196 0.66 SMN1; SMN2 (0.43) ALDH1A1TSHRLMNAL3MBTL1KDM4E
SCHEMBL10891944 0.65 ALDH1A1 (0.50) ALDH1A1TSHRMAPTLMNAL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120018714-A1 ORGANIC ELECTROLUMINESCENT DEVICE, DISPLAY APPARATUS, AND LIGHTING APPARATUS KONICA MINOLTA HOLDINGS, INC. (JP) 2012-01-26 US disclosed