SCHEMBL22862712

SCHEMBL22862712

CNc1cc(Cn2cnc(Br)c2C2CC2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ AGTR2 P50052 3/20 0.31

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
SCHEMBL29490245 1.00 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24704432 0.89 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22862946 0.82 RAD52 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29490248 0.82 RAD52 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22862594 0.81 MAPT (0.40) —
SCHEMBL22862466 0.79 HDAC1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29490176 0.79 HDAC1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22862947 0.76 RAD52 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29490308 0.76 RAD52 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22862595 0.73 LMNA (0.39) HDAC4BRD4

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
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO disclosed
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