SCHEMBL19785757

SCHEMBL19785757

CCOc1cc(-c2ccccn2)nc(-c2cc(C)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.49
CCR5 P51681 4/20 0.49
CCR8 P51685 4/20 0.49
CBFB Q13951 1/20 0.46
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HSP90AA1 P07900 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNN1 Q92952 1/20 0.43
KCNN2 Q9H2S1 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43

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
SCHEMBL2536206 0.89 CCR1 (0.55) CCR1CCR5CCR8CBFBKDM4E
SCHEMBL17132034 0.85 CCR1 (0.63) CCR1CCR5CCR8CBFBKDM4E
SCHEMBL863171 0.81 KDM4E (0.67) CCR1CCR5CCR8CBFBKDM4E
Dipyridyl SCHEMBL28342586 0.81 CCR1 (0.74) CCR1CCR5CCR8CBFBKDM4E
SCHEMBL563123 0.81 CCR1 (0.74) CCR1CCR5CCR8CBFBKDM4E
Terpyridine SCHEMBL5047400 0.80 KDM4E (0.64) CCR1CCR5CCR8CBFBKDM4E
SCHEMBL2535588 0.80 CCR1 (0.53) CCR1CCR5CCR8CBFBKDM4E
Dipyridyl SCHEMBL4890661 0.79 CCR1 (0.71) CCR1CCR5CCR8CBFBKDM4E
Iodide SCHEMBL28395658 0.79 CCR1 (0.71) CCR1CCR5CCR8CBFBKDM4E
2-Mercaptoethanol SCHEMBL7784953 0.79 CBFB (0.45) CCR1CCR5CCR8CBFBKDM4E

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-10294332-B2 Functionalized siloxane materials MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2019-05-21 US disclosed
US-20180016401-A1 FUNCTIONALIZED SILOXANE MATERIALS MOMENTIVE PERFORMANCE MATERIALS INC. 2018-01-18 US disclosed