SCHEMBL25844938

SCHEMBL25844938

Clc1nc(-c2ccccc2)nc(-c2ccc3ccc4cccnc4c3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.46
CCR8 P51685 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CCR5 P51681 3/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL21816787 0.94 CCR1 (0.46) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL20726812 0.93 LMNA (0.53) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL20726744 0.90 MAPT (0.50) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL23322648 0.88 CCR1 (0.55) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL20726792 0.85 MAPT (0.52) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL23600052 0.85 MAPT (0.52) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL31257104 0.84 CCR1 (0.41) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL19763003 0.84 MAPT (0.50) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL20726698 0.84 MAPT (0.50) CCR1CCR8LMNASMN1; SMN2KDM4E
SCHEMBL19762942 0.84 MAPT (0.50) CCR1CCR8LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 WO disclosed