SCHEMBL9765212

SCHEMBL9765212

COC(=O)CCSC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9765536 0.90 KMT2A (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765223 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765177 0.89 SLC6A2 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11060869 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765222 0.82 GRM7 (0.41)
SCHEMBL9765210 0.81 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765167 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9765169 0.80 SLC6A2 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11060009 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10414986 0.79 RAB9A (0.39) MEN1KMT2AALDH1A1MAPTKDM4E

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 3 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
US-4917721-A TETRAHYDROPHTHALIMIDO BENZOIC ACID THIOESTERS CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed