SCHEMBL9819487

SCHEMBL9819487

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.46
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL9819421 0.95 CYP3A4 (0.58) CYP3A4CYP2C19CYP1A2MAPTSMN1; SMN2
SCHEMBL9819475 0.83 POLB (0.43) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9819516 0.83 LMNA (0.44) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9819537 0.82 GAA (0.44) CYP2C19CYP1A2ALDH1A1CYP2D6POLB
SCHEMBL9819472 0.80 HDAC1 (0.43) KDM4EALDH1A1HPGDPOLBHDAC3
SCHEMBL9819544 0.79 POLB (0.40) ALDH1A1POLBHDAC3HDAC4HDAC1
SCHEMBL9819511 0.78 POLB (0.49) CYP3A4CYP2C19CYP1A2MAPTSMN1; SMN2
SCHEMBL9819468 0.78 LMNA (0.47) CYP2C19CYP1A2KDM4EALDH1A1HPGD
SCHEMBL9819528 0.78 POLB (0.47) SMN1; SMN2ALDH1A1HPGDPOLBHDAC3
SCHEMBL23430664 0.76 HPGD (0.58) SMN1; SMN2KDM4EALDH1A1HPGDPOLB

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