SCHEMBL17899272

SCHEMBL17899272

c1ccc2cc(-c3cccc4c(-c5ccc6ccc7cccnc7c6n5)c5cccc(-c6ccc7ccccc7c6)c5cc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.41
CCR8 P51685 5/20 0.41
LMNA P02545 3/20 0.41
CCR5 P51681 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GMNN O75496 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL16433709 0.93 CLK2 (0.41) CCR1CCR8LMNACCR5TDP1
SCHEMBL17899278 0.90 TOP1 (0.43) CCR1CCR8LMNACCR5TDP1
SCHEMBL16433751 0.90 TOP1 (0.44) CCR1CCR8LMNACCR5TDP1
SCHEMBL18538140 0.89 CCR1 (0.46) CCR1CCR8LMNACCR5TDP1
SCHEMBL13046169 0.87 CCR1 (0.41) CCR1CCR8LMNACCR5TDP1
SCHEMBL1103180 0.87 CCR1 (0.43) CCR1CCR8LMNACCR5TDP1
SCHEMBL17899277 0.87 CCR1 (0.46) CCR1CCR8LMNACCR5TDP1
SCHEMBL17522011 0.85 CCR1 (0.44) CCR1CCR8LMNACCR5TDP1
SCHEMBL17521976 0.85 CCR1 (0.47) CCR1CCR8LMNACCR5TDP1
SCHEMBL29444813 0.83 CCR1 (0.59) CCR1CCR8LMNACCR5TDP1

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
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed