SCHEMBL30472690

SCHEMBL30472690

Clc1cncc(-c2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.54
▸ CCR1 P32246 3/20 0.54
▸ CCR5 P51681 3/20 0.54
▸ CCR8 P51685 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ METAP1 P53582 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ DOHH Q9BU89 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALPL P05186 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52

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
SCHEMBL3139065 1.00 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13140367 0.86 KDM4E (0.70) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23598500 0.82 KDM4E (0.78) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23598683 0.82 KDM4E (0.78) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL19944117 0.78 KDM4E (0.59) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL27946179 0.78 KDM4E (0.59) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL70338 0.78 KDM4E (0.71) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL29727933 0.78 KDM4E (0.71) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL17463144 0.77 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13798855 0.77 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA

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-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 — — EP disclosed
WO-2023118253-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 — — WO disclosed
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