SCHEMBL9715965

SCHEMBL9715965

C#Cc1cccnc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NPC1 O15118 6/20 0.42
TP53 P04637 4/20 0.42
RAB9A P51151 4/20 0.42
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL29003 0.83 TDP1 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2139205 0.81 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2651653 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29741178 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29004 0.80 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9449076 0.79 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8914679 0.78 PTGS1 (0.39) KDM4ENPC1RAB9AALOX15L3MBTL1
SCHEMBL6769901 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16875724 0.75 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL176039 0.74 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261733-B1 CONDUCTIVE POLYMER COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-15 EP claimed
US-5034463-A Forming a solution of an electroconductive polymer in a solvent, a metallized polymer SHELL OIL CORPORATION (US) 1991-07-23 US claimed
EP-0261733-A2 Conductive polymer compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-03-30 EP claimed