SCHEMBL17899281

SCHEMBL17899281

c1cc(-c2cnc3c(ccc4cccnc43)c2)c2cc3cccc(-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 5/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
HTT P42858 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
SCHEMBL23954399 0.89 CCR1 (0.53) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL17899282 0.87 CCR1 (0.54) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL25850599 0.87 CCR1 (0.48) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL9942397 0.86 CCR1 (0.61) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL23954363 0.84 CCR1 (0.67) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL9612517 0.82 CCR1 (0.43) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL20726791 0.82 CCR1 (0.43) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL20726899 0.82 CCR1 (0.46) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL17899319 0.81 CCR1 (0.59) CCR1CCR8CCR5KDM4ELMNA
SCHEMBL11910132 0.81 CCR1 (0.62) 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