SCHEMBL9819475

SCHEMBL9819475

NC(=O)CCCNC(=O)CCCNC(=O)c1cc(Br)no1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HDAC1 Q13547 14/20 0.40
HDAC3 O15379 13/20 0.40
HDAC2 Q92769 11/20 0.40
HDAC10 Q969S8 10/20 0.40
HDAC8 Q9BY41 10/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC4 P56524 5/20 0.37
HDAC7 Q8WUI4 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
HDAC9 Q9UKV0 5/20 0.37
HDAC5 Q9UQL6 5/20 0.37
CHRNA4 P43681 1/20 0.35

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
SCHEMBL9819528 0.95 POLB (0.47) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819516 0.90 LMNA (0.44) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819472 0.86 HDAC1 (0.43) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819468 0.83 LMNA (0.47) POLB
SCHEMBL9819487 0.83 CYP3A4 (0.54) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819537 0.83 GAA (0.44) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819406 0.82 LMNA (0.46) POLB
SCHEMBL9819544 0.82 POLB (0.40) POLBHDAC1HDAC3HDAC2HDAC10
SCHEMBL9819459 0.82 ALDH1A1 (0.40) POLBHDAC1HDAC3HDAC6CHRNA4
SCHEMBL9819400 0.81 POLB (0.44) POLBHDAC1HDAC3HDAC2HDAC10

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-0317588-B1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1991-08-07 EP disclosed
US-4985428-A Isoxazoles with nootropic activity ZAMBON GROUP S.P.A. (IT) 1991-01-15 US disclosed
EP-0317588-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY. ZAMBON SPA (IT) 1989-05-31 EP disclosed
WO-1988009330-A1 ISOXAZOLES WITH NOOTROPIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1988-12-01 WO disclosed