SCHEMBL11060009

SCHEMBL11060009

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

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11068472 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11060869 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8560334 0.83 TDP1 (0.50) ALDH1A1MAPTHTTHPGDNPSR1
SCHEMBL9737247 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9765223 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9765212 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9765179 0.80 PPOX (0.43) ALDH1A1MAPTHTTHPGDNPSR1
SCHEMBL11188018 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL8570235 0.79 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10414986 0.79 RAB9A (0.39) MEN1KMT2AALDH1A1MAPTSLC6A3

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
US-4439229-A Substituted phthalimides herbicides ROHM AND HAAS COMPANY (US) 1984-03-27 US disclosed
EP-0068822-A2 Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1983-01-05 EP disclosed