SCHEMBL11113640

SCHEMBL11113640

OCCCNc1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CDK1 P06493 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCR1 P32246 1/20 0.41
CYP19A1 P11511 1/20 0.40
ADORA1 P30542 1/20 0.40
KDR P35968 2/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL6582851 0.89 KMT2A (0.52) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL11112106 0.83 CCR1 (0.46) MEN1KMT2APOLBMAPK1IDO1
SCHEMBL7657031 0.82 GAA (0.50) POLBALDH1A1LMNA
SCHEMBL11198510 0.82 CDK1 (0.42) CDK1ALDH1A1TDP1CCR1CYP19A1
SCHEMBL7790487 0.80 MPI (0.44) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL8144605 0.80 CDK1 (0.43) MEN1KMT2APOLBL3MBTL1TP53
SCHEMBL1307373 0.80 FERMT2 (0.40) L3MBTL1CDK1LMNACCR1CYP19A1
SCHEMBL7655772 0.79 SMN1; SMN2 (0.48) MEN1KMT2APOLBMAPK1CDK1
SCHEMBL30516524 0.79 PRSS1 (0.49) TP53MAPK1CDK1ALDH1A1TDP1
SCHEMBL2794943 0.79 PRSS1 (0.49) TP53MAPK1CDK1ALDH1A1TDP1

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