SCHEMBL29354513

SCHEMBL29354513

Cc1ccc(Cl)c(-c2ccccc2I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
C1R P00736 2/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G7 Q13093 1/20 0.37
LRRK2 Q5S007 1/20 0.36
HSD11B1 P28845 2/20 0.36
ALKBH3 Q96Q83 1/20 0.36

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
SCHEMBL13176930 0.84 PLA2G7 (0.50) ELANERAB9ANPC1KMT2AMEN1
SCHEMBL851675 0.80 ELANE (0.45) ELANEC1RRAB9ANPC1KMT2A
SCHEMBL11202155 0.77 PTPRC (0.41) C1RKMT2AMAPTSMN1; SMN2CYP2A6
SCHEMBL27926263 0.77 CYP2A6 (0.50) C1RRAB9ANPC1KMT2AALDH1A1
SCHEMBL24625661 0.76 ELANE (0.45) ELANEC1RRAB9ANPC1KMT2A
SCHEMBL4431124 0.74 ELANE (0.36) ELANERAB9ANPC1KMT2AMEN1
SCHEMBL2780718 0.74 CYP2A6 (0.54) ELANERAB9ANPC1KMT2AMEN1
SCHEMBL21021881 0.73 ALDH1A1 (0.47) ELANERAB9ANPC1KMT2AMEN1
SCHEMBL19033932 0.73 GAA (0.47) ELANEALDH1A1HPGDGRM2TSHR
SCHEMBL28468611 0.73 C1R (0.47) ELANEC1RRAB9AKMT2AMEN1

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
CN-113968859-B Multi-element condensed ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2024-09-24 CN disclosed
CN-113968859-A Multi-element fused ring compound and application thereof in organic electroluminescent device 北京鼎材科技有限公司 2022-01-25 CN disclosed