SCHEMBL8892490

SCHEMBL8892490

CSc1ccccc1Cc1ccc(Br)cc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP19A1 P11511 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8892156 0.92 HPGD (0.36) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8891465 0.90 HPGD (0.39) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8892579 0.88 HPGD (0.38) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8891280 0.83 CYP19A1 (0.33) CYP19A1TAS1R3TAS1R1TAS1R2GSTA1
SCHEMBL8889307 0.83 NR3C1 (0.35) ALDH1A1CYP19A1LMNATAS1R3TAS1R1
SCHEMBL8889689 0.83 HPGD (0.39) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8889692 0.83 ALDH1A1 (0.37) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8890370 0.83 HPGD (0.34) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8890982 0.82 LMNA (0.34) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A
SCHEMBL8891512 0.82 HPGD (0.36) HPGDSMN1; SMN2ALDH1A1CASP3RAB9A

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