SCHEMBL11113486

SCHEMBL11113486

CC(=O)c1cccc(NCCCCl)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL8686732 0.86 AKR1C3 (0.58) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL11115690 0.86 KMT2A (0.61) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL11108977 0.86 KMT2A (0.53) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL8686770 0.84 HTR7 (0.55) KMT2AMEN1
SCHEMBL11735992 0.82 HPGD (0.59) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL11935015 0.82 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL11118147 0.81 RAB9A (0.56) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL13033166 0.81 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL2645244 0.80 KMT2A (0.66) KMT2AMEN1SMN1; SMN2HPGDGAA
SCHEMBL27861904 0.79 KMT2A (0.60) KMT2AMEN1SMN1; SMN2GAAALDH1A1

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-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed