SCHEMBL23797332

SCHEMBL23797332

Cn1c(=O)ccc2cc(Br)c(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 16/20 0.49
▸ BRD9 Q9H8M2 5/20 0.46
▸ BRD4 O60885 4/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KAT2B Q92831 1/20 0.46
▸ BRD1 O95696 9/20 0.38
▸ BRPF3 Q9ULD4 5/20 0.38
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ SCN9A Q15858 3/20 0.34

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
SCHEMBL19448882 0.81 BRPF1 (0.50) BRPF1BRD9BRD4CA12CA9
SCHEMBL17576626 0.77 BRPF1 (0.52) BRPF1BRD9BRD4CA12CA9
SCHEMBL30665881 0.77 BRPF1 (0.52) BRPF1BRD9BRD4CA12CA9
SCHEMBL10909054 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL3263915 0.74 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL16932310 0.74 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL30538035 0.74 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL21848211 0.73 DAO (0.50) BRPF1
SCHEMBL16364568 0.73 PRKCI (0.44) —
SCHEMBL2172818 0.73 BRPF1 (0.62) BRPF1BRD9BRD4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 — — EP disclosed
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