SCHEMBL9819459

SCHEMBL9819459

O=C(CCCNC(=O)c1cc(Br)no1)NCCCC(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
CHRNA4 P43681 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 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
SCHEMBL9819485 0.95 ALDH1A1 (0.42) ALDH1A1CHRNA4FPR3FPR2POLB
SCHEMBL9819529 0.88 POLB (0.40) ALDH1A1CHRNA4HDAC1HDAC3POLB
SCHEMBL9819516 0.82 LMNA (0.44) ALDH1A1HDAC1HDAC3POLBATM
SCHEMBL9819475 0.82 POLB (0.43) CHRNA4HDAC1HDAC3POLBHDAC6
SCHEMBL9819432 0.79 LMNA (0.45) ALDH1A1CHRNA4POLBRAB9AKMT2A
SCHEMBL9819472 0.79 HDAC1 (0.43) ALDH1A1HDAC1HDAC3POLBHDAC6
SCHEMBL19746834 0.77 USP30 (0.50) ALDH1A1HDAC1HDAC3HDAC6RAB9A
SCHEMBL9819468 0.77 LMNA (0.47) ALDH1A1POLBATM
SCHEMBL9819528 0.77 POLB (0.47) ALDH1A1CHRNA4HDAC1HDAC3POLB
SCHEMBL9819487 0.76 CYP3A4 (0.54) ALDH1A1HDAC1HDAC3POLBHDAC6

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