SCHEMBL4051386

SCHEMBL4051386

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2cc(F)ccc12)C(=O)NCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.45
CNR2 P34972 7/20 0.45
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
SYK P43405 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
ACSS2 Q9NR19 1/20 0.32

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
SCHEMBL13690618 0.96 CNR1 (0.44) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL4051488 0.96 CNR1 (0.44) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL4048845 0.93 CNR1 (0.45) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL13691133 0.90 CNR1 (0.42) CNR1CNR2SYKKDM4C
SCHEMBL13690594 0.90 CNR1 (0.48) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL4049921 0.90 CNR1 (0.43) CNR1CNR2SYKKDM4C
SCHEMBL4051781 0.90 CNR1 (0.43) CNR1CNR2SYKKDM4C
SCHEMBL4058132 0.89 CNR1 (0.48) CNR1CNR2SYKKDM4C
SCHEMBL13690621 0.89 CNR1 (0.48) CNR1CNR2SYKKDM4C
SCHEMBL4230815 0.89 CNR1 (0.44) CNR1CNR2HDAC3HDAC4HDAC1

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed