SCHEMBL5328683

SCHEMBL5328683

COc1cc(Cl)c(-c2ccccn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
HSP90AA1 P07900 2/20 0.48
LMNA P02545 6/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RUNX1 Q01196 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPP1CA P62136 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45

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
SCHEMBL27911207 0.81 KDM1A (0.51) CCR1CCR5CCR8HSP90AA1NPC1
SCHEMBL17751232 0.81 HSP90AA1 (0.52) CCR1CCR5CCR8HSP90AA1NPC1
SCHEMBL3401384 0.80 L3MBTL1 (0.52) CCR1CCR5CCR8HSP90AA1LMNA
SCHEMBL5347477 0.79 CCR1 (0.55) CCR1CCR5CCR8HSP90AA1LMNA
Dipyridyl SCHEMBL9014402 0.78 CCR1 (0.77) CCR1CCR5CCR8HSP90AA1LMNA
SCHEMBL8248415 0.78 NPC1 (0.52) CCR1CCR5CCR8HSP90AA1LMNA
SCHEMBL2711382 0.78 CCR1 (0.77) CCR1CCR5CCR8HSP90AA1LMNA
Dipyridyl SCHEMBL9014122 0.78 CCR1 (0.77) CCR1CCR5CCR8HSP90AA1LMNA
SCHEMBL197885 0.78 HSP90AA1 (0.66) CCR1CCR5CCR8HSP90AA1LMNA
SCHEMBL28208710 0.78 CYP1A2 (0.56) CCR1CCR5CCR8HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702008-A1 ARENE-CHLORINATION USING CHLORINATED WASTE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2026-03-04 EP disclosed
WO-2024223834-A1 ARENE-CHLORINATION USING CHLORINATED WASTE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-10-31 WO disclosed
EP-4455127-A1 ARENE-CHLORINATION USING CHLORINATED WASTE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-10-30 EP disclosed
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007123910-A2 COPPER-MEDIATED FUNCTIONALIZATION OF ARYL C-H BONDS, AND COMPOUNDS RELATED THERETO BRANDEIS UNIVERSITY (US) 2007-11-01 WO disclosed