SCHEMBL8892357

SCHEMBL8892357

CCO/C=C(\C(=O)c1ccc(SC)c(C)c1Cc1ccccc1)C(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8892368 1.00 MAP2K1 (0.33) MAP2K1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8892286 0.91 SMN1; SMN2 (0.34) MAP2K1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8892289 0.87 MAP2K1 (0.35) MAP2K1MEN1KMT2ASMN1; SMN2LTA4H
SCHEMBL8817690 0.74 CCR6 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL8817699 0.74 CCR6 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL8045045 0.72
SCHEMBL8388430 0.71 MAPT (0.33) ALDH1A1MAPT
SCHEMBL8310730 0.70
SCHEMBL8489453 0.70 HPGD (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7471707 0.70

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed