SCHEMBL20531019

SCHEMBL20531019

FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CCR1 P32246 3/20 0.55
CCR5 P51681 3/20 0.55
CCR8 P51685 3/20 0.55
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 2/20 0.55
ALPL P05186 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSP90AA1 P07900 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 2/20 0.50
RAD51 Q06609 1/20 0.47
PIN1 Q13526 1/20 0.47
CYP1A2 P05177 1/20 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
SCHEMBL29696887 0.94 ALOX15 (0.55) ALOX15SMN1; SMN2CCR1CCR5CCR8
SCHEMBL4302091 0.94 ALOX15 (0.55) ALOX15SMN1; SMN2CCR1CCR5CCR8
SCHEMBL18279960 0.89 ALOX15 (0.56) ALOX15SMN1; SMN2CCR1CCR5CCR8
SCHEMBL19612553 0.83 HPGD (0.51) ALOX15SMN1; SMN2KDM4EL3MBTL1TP53
SCHEMBL28474142 0.78 ALOX15 (0.57) ALOX15SMN1; SMN2TP53MAPK1LMNA
SCHEMBL19064332 0.78 HSD17B10 (0.54) ALOX15SMN1; SMN2KDM4ETP53MAPK1
SCHEMBL19064320 0.78 SMN1; SMN2 (0.49) ALOX15SMN1; SMN2KDM4EL3MBTL1TP53
SCHEMBL19064335 0.78 MAPK1 (0.55) ALOX15SMN1; SMN2KDM4EL3MBTL1TP53
SCHEMBL28480047 0.78 PIN1 (0.51) ALOX15SMN1; SMN2CCR1CCR5CCR8
SCHEMBL12074978 0.77 SMN1; SMN2 (0.51) ALOX15SMN1; SMN2CCR1CCR5CCR8

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
EP-3130595-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2018-10-17 EP disclosed
CN-102268250-A Novel electrically-neutral tridentate iridium [III] complex red luminescent material and preparation method 2011-12-07 CN disclosed