SCHEMBL17899328

SCHEMBL17899328

c1cnc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5cccnc5c5ncccc45)c4ccccc34)c3ccccc13)c1cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.61
CCR8 P51685 5/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.53
CCR5 P51681 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSP90AA1 P07900 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
MMP2 P08253 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL12914331 0.94 L3MBTL1 (0.68) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL30449991 0.90 CCR1 (0.51) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL21518522 0.90 CCR1 (0.51) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL15497846 0.88 CCR1 (0.53) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL21518517 0.88 CCR1 (0.53) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL13320307 0.87 CYP11B1 (0.49) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL24941637 0.86 CCR1 (0.47) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL20726922 0.86 CCR1 (0.47) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL12914324 0.86 CCR1 (0.54) CCR1CCR8L3MBTL1ALDH1A1MAPT
SCHEMBL12955151 0.85 CCR1 (0.50) CCR1CCR8L3MBTL1ALDH1A1MAPT

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