SCHEMBL9372428

SCHEMBL9372428

O=c1ccc2ccccc2n1CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ BRPF1 P55201 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ KAT2B Q92831 1/20 0.47
▸ BRD9 Q9H8M2 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ RORA P35398 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 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
SCHEMBL30224224 0.78 HDAC1 (0.49) HDAC1HDAC6HDAC8KMT2ARORA
SCHEMBL23993198 0.78 HDAC1 (0.49) HDAC1HDAC6HDAC8KMT2ARORA
SCHEMBL9372755 0.77 RORA (0.34) BRPF1HDAC1HDAC6HDAC8KMT2A
SCHEMBL29757375 0.76 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3287841 0.76 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL11664547 0.76 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3441071 0.76 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL31251898 0.76 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL11868257 0.75 HDAC1 (0.37) HDAC1HDAC6HDAC8RORARORC
SCHEMBL31016081 0.74 HDAC1 (0.61) CA12CA9HDAC1HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 — — EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 — — US disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 — — US disclosed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 — — EP disclosed
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