SCHEMBL28178451

SCHEMBL28178451

Nc1c(-c2ccccc2)cc2nc3ccccc3cc2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.57
ESR2 Q92731 6/20 0.57
ALDH1A1 P00352 5/20 0.51
GLA P06280 4/20 0.51
HPGD P15428 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
PTBP1 P26599 1/20 0.51
RCE1 Q9Y256 1/20 0.51
ACHE P22303 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL28441223 0.85 ESR1 (0.62) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL28178474 0.81 ESR1 (0.60) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL196020 0.80 ESR1 (0.59) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL3109538 0.79 ALDH1A1 (0.61) ESR1ESR2ALDH1A1GLAHPGD
Biphenyl SCHEMBL28499425 0.79 ESR1 (0.57) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL28680134 0.78 ESR1 (0.56) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL24575333 0.78 ESR1 (0.57) ESR1ESR2ALDH1A1GLAHPGD
SCHEMBL16860069 0.76 GPR84 (0.50) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL28861333 0.76 ESR1 (0.57) ESR1ESR2ALDH1A1GLAHPGD
Boric Acid SCHEMBL30999669 0.75 ESR1 (0.53) ESR1ESR2ALDH1A1GLAHPGD

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
CN-107337643-A A kind of acridine compound and its organic luminescent device 长春海谱润斯科技有限公司 2017-11-10 CN disclosed
CN-107162974-A A kind of acridine compounds and its organic luminescent device 长春海谱润斯科技有限公司 2017-09-15 CN disclosed