SCHEMBL17899339

SCHEMBL17899339

c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5ccc6cccnc6c5n4)c(-c4ccc5ccc6cccnc6c5n4)cc3-c3ccc4ccc5cccnc5c4n3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.67
CCR8 P51685 5/20 0.67
LMNA P02545 4/20 0.67
CCR5 P51681 3/20 0.67
MMP2 P08253 2/20 0.67
TSHR P16473 2/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
GMNN O75496 1/20 0.67
TP53 P04637 1/20 0.67
HSP90AA1 P07900 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MMP9 P14780 1/20 0.67
ALOX15 P16050 1/20 0.67
NFKB1 P19838 1/20 0.67
MMP8 P22894 1/20 0.67

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
SCHEMBL13818413 0.94 CCR1 (0.64) CCR1CCR8LMNACCR5MMP2
SCHEMBL17899316 0.89 CCR1 (0.76) CCR1CCR8LMNACCR5MMP2
SCHEMBL22101154 0.89 CCR1 (0.76) CCR1CCR8LMNACCR5MMP2
SCHEMBL29413987 0.89 CCR1 (0.76) CCR1CCR8LMNACCR5MMP2
SCHEMBL17146643 0.89 KDM4E (0.57) CCR1CCR8LMNACCR5MMP2
SCHEMBL17174059 0.87 CCR1 (0.55) CCR1CCR8LMNACCR5MMP2
SCHEMBL15497974 0.86 CCR1 (0.64) CCR1CCR8LMNACCR5MMP2
SCHEMBL14900783 0.86 LMNA (0.64) CCR1CCR8LMNACCR5MMP2
SCHEMBL22101153 0.86 CCR1 (0.64) CCR1CCR8LMNACCR5MMP2
SCHEMBL12853992 0.86 LMNA (0.64) CCR1CCR8LMNACCR5MMP2

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