SCHEMBL17899277

SCHEMBL17899277

c1ccc2c(-c3cccc4c(-c5ccc6ccc7cccnc7c6n5)c5cccc(-c6cccc7ccccc67)c5cc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.46
CCR8 P51685 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CCR5 P51681 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
MMP2 P08253 2/20 0.46
TSHR P16473 2/20 0.46
GMNN O75496 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL13145321 0.91 MAPT (0.48) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL16433751 0.89 TOP1 (0.44) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL13512152 0.89 MAPT (0.46) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL12955082 0.88 CCR1 (0.48) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL2448839 0.88 CCR1 (0.59) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL29444813 0.88 CCR1 (0.59) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL17899278 0.87 TOP1 (0.43) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL17899272 0.87 CCR1 (0.41) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL13015742 0.86 MAPT (0.53) CCR1CCR8KDM4EMAPTSMN1; SMN2
SCHEMBL17521985 0.85 KDM4E (0.52) CCR1CCR8KDM4EMAPTSMN1; SMN2

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