SCHEMBL17522011

SCHEMBL17522011

c1ccc2c(-c3ccc4cc(-c5ccc6ccc7cccnc7c6n5)ccc4c3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.44
CCR8 P51685 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GMNN O75496 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL18904485 0.92 CCR1 (0.42) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL19762975 0.88 CCR1 (0.43) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL23016358 0.87 NPC1 (0.43) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL22281898 0.87 PIM1 (0.40) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL17174051 0.87 PIM1 (0.49) KDM4EMAPTCYP3A4SMN1; SMN2CYP2D6
SCHEMBL22689545 0.87 SMN1; SMN2 (0.55) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL30446461 0.87 SMN1; SMN2 (0.55) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL13311148 0.87 CCR1 (0.59) CCR1CCR8KDM4EMAPTLMNA
SCHEMBL20250376 0.86 PIM1 (0.47) KDM4EMAPTCYP3A4TP53SMN1; SMN2
SCHEMBL17522046 0.86 KDM4E (0.44) CCR1CCR8KDM4EMAPTLMNA

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-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed