SCHEMBL9848049

SCHEMBL9848049

BrCc1ccc(-c2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ CCR1 P32246 3/20 0.60
▸ CCR5 P51681 3/20 0.60
▸ CCR8 P51685 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ ALPL P05186 1/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ ALPI P09923 1/20 0.60
▸ ALPG P10696 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP1A2 P05177 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ METAP1 P53582 1/20 0.47

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
SCHEMBL676001 0.88 KDM4E (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL38650638 0.88 KDM4E (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL15048694 0.86 KDM4E (0.51) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL5570130 0.86 CYP1A2 (0.49) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL7056332 0.86 CYP1A2 (0.49) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL10533031 0.86 RAB9A (0.52) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13202960 0.86 KDM4E (0.82) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4812728 0.85 CCR1 (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL20207976 0.81 KDM4E (0.67) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL28850621 0.80 MEN1 (0.48) 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-0451585-A2 2-aryl-6-hetarylpyridine derivatives BAYER AG (DE) 1991-10-16 — — EP claimed
EP-0451585-A2 2-aryl-6-hetarylpyridine derivatives BAYER AG (DE) 1991-10-16 — — EP disclosed
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