SCHEMBL21390835

SCHEMBL21390835

Cc1cc2nc(CCCCC(=O)C[C@](C)(O)c3ccccc3)n(C(C)(C)C)c2nc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21391056 0.85
SCHEMBL21390915 0.84 CES1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21390953 0.81 CCR9 (0.33) HDAC6AGTR1AGTR2ATMSMN1; SMN2
SCHEMBL21390951 0.81 CCR9 (0.33) HDAC6AGTR1AGTR2ATMSMN1; SMN2
SCHEMBL21391160 0.79 ACSS2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19278002 0.78 NLRP3 (0.37) ADORA3SMN1; SMN2
SCHEMBL20624130 0.78 NLRP3 (0.37) ADORA3SMN1; SMN2
SCHEMBL21391045 0.78 ACLY (0.30)
SCHEMBL21390993 0.75 HTT (0.31) AGTR1AGTR2
SCHEMBL21391173 0.73 ACSS2 (0.36) HDAC3HDAC4HDAC1HDAC2HDAC10

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed