SCHEMBL17899282

SCHEMBL17899282

c1ccc2cc3c(-c4cnc5c(ccc6cccnc65)c4)ccc(-c4cnc5c(ccc6cccnc65)c4)c3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.54
CCR8 P51685 5/20 0.54
CCR5 P51681 3/20 0.54
KDM4E B2RXH2 7/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MMP2 P08253 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 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
SCHEMBL17899281 0.87 CCR1 (0.54) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL9942397 0.86 CCR1 (0.61) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL23954399 0.86 CCR1 (0.53) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL17229146 0.85 CCR1 (0.49) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL23954363 0.84 CCR1 (0.67) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL22617966 0.84 CCR1 (0.48) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL22910114 0.83 CCR1 (0.47) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL21560753 0.82 CCR1 (0.56) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL21560827 0.82 CCR1 (0.56) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL21560742 0.82 CCR1 (0.56) CCR1CCR8CCR5KDM4ELMNA

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