SCHEMBL15424072

SCHEMBL15424072

Cc1ccc(-c2cc(C)cc3c(-c4ccc(C)cn4)cc(C)cc23)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.60
CCR5 P51681 2/20 0.60
CCR8 P51685 2/20 0.60
HDAC6 Q9UBN7 1/20 0.60
METAP2 P50579 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
PTGS2 P35354 2/20 0.42
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
GRM5 P41594 2/20 0.40
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20419644 0.80 CCR1 (0.56) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL24066438 0.79 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL15424054 0.78 CCR1 (0.37) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL29374261 0.77 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
Abametapir SCHEMBL351152 0.77 CCR1 (1.00) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL9901550 0.76 CCR1 (0.56) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL21990899 0.75 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL18814932 0.75 CCR1 (0.60) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL15158530 0.74 CCR1 (0.65) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL13319609 0.73 CCR1 (0.58) CCR1CCR5CCR8HDAC6METAP2

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-9793486-B2 Polymer compound and light-emitting element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20140014935-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed