SCHEMBL8893007

SCHEMBL8893007

COCc1ccccc1Cc1cc(SC)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
HCRTR2 O43614 1/20 0.35
NLRP3 Q96P20 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.33
P2RX3 P56373 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 2/20 0.31
CASP3 P42574 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL8889689 0.87 HPGD (0.39) HPGDNLRP3MEN1KMT2APKM
SCHEMBL8889854 0.87 SMN1; SMN2 (0.34) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8891282 0.86 HPGD (0.36) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8891645 0.85 SLC6A2 (0.36) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8891972 0.84 HCRTR2 (0.35) HCRTR2MGLL
SCHEMBL8892281 0.84 HCRTR2 (0.36) HCRTR2MGLL
SCHEMBL8494970 0.83 HPGD (0.35) HPGDMEN1KMT2APKMSMN1; SMN2
SCHEMBL8890370 0.82 HPGD (0.34) HPGDNLRP3MEN1KMT2ASMN1; SMN2
SCHEMBL8891270 0.82 TAS1R3 (0.33) HPGDNLRP3MEN1KMT2ASMN1; SMN2
SCHEMBL8890896 0.81 TBXA2R (0.41) HPGDMEN1KMT2ATSHRALDH1A1

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