SCHEMBL9765167

SCHEMBL9765167

COCCOC(=O)CSC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 2/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
PPOX P50336 1/20 0.32
HSP90AA1 P07900 1/20 0.32
G6PD P11413 1/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9765180 0.89 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL9765210 0.89 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765223 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765169 0.84 SLC6A2 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765228 0.83 GRM7 (0.40)
SCHEMBL9765212 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765187 0.80 SLC6A3 (0.41) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL9765536 0.79 KMT2A (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765177 0.77 SLC6A2 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11060869 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed
US-5034048-A Plant growth regulators, 5(tetrahydrophthalamido)benzoic acid derivatives for controlling weeds CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed