SCHEMBL8889963

SCHEMBL8889963

CSc1c(Cc2ccccc2C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
NR1H4 Q96RI1 1/20 0.31
P2RX7 Q99572 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
DHODH Q02127 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 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
SCHEMBL8890050 0.86 NR1H4 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL8890556 0.85 HPGD (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL8892417 0.84 MEN1 (0.33) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8891512 0.83 HPGD (0.36) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8492504 0.83 DHODH (0.35) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8893368 0.83 DHODH (0.36) SLC6A2SLC6A4NR1H4P2RX7DHODH
SCHEMBL8891465 0.83 HPGD (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL8889886 0.82 HPGD (0.36) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8889324 0.81 HPGD (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL8890370 0.80 HPGD (0.34) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2

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