SCHEMBL8890773

SCHEMBL8890773

CSc1ccccc1Cc1ccccc1C(=O)c1c(C(=O)OC(C)C)noc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPT P10636 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL8891977 0.90 MAPT (0.38) KMT2AALDH1A1HPGDRAB9ANPSR1
SCHEMBL8892752 0.88 ALDH1A1 (0.38) KMT2AALDH1A1HPGDRAB9ANPSR1
SCHEMBL8891053 0.82 KMT2A (0.33) KMT2AALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL8890952 0.80 ALDH1A1 (0.33) KMT2AALDH1A1HPGDRAB9ANPSR1
SCHEMBL8891083 0.79 HTT (0.40) KMT2AALDH1A1HPGDRAB9ANPSR1
SCHEMBL8892822 0.79 HTT (0.34) KMT2AALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL8891811 0.78 MAPT (0.38) ALDH1A1HPGDNPSR1MAPTSLC6A2
SCHEMBL8890586 0.76 ALDH1A1 (0.37) ALDH1A1NPSR1SMN1; SMN2MAPTTSHR
SCHEMBL8890036 0.76 ALDH1A1 (0.39) KMT2AALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL8890606 0.76 HTT (0.37) KMT2AALDH1A1RAB9ANPSR1MAPT

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