SCHEMBL11084185

SCHEMBL11084185

COC(=O)c1c(C)nn(C)c1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL20659148 0.77 LMNA (0.57) HPGDRAB9ALMNATP53MAPT
SCHEMBL3724012 0.73 PLA2G2A (0.49) HPGDLMNATP53MAPTMEN1
SCHEMBL1798141 0.72 MAPT (0.49) HPGDMAPTPDE4APDE4BPDE4C
SCHEMBL16838230 0.72 MAPT (0.57) HPGDNPC1RAB9ALMNATP53
SCHEMBL10675396 0.69 MAPT (0.42) HPGDNPC1RAB9ALMNATP53
SCHEMBL15153224 0.69 RAB9A (0.74) HPGDNPC1RAB9AMAPTMEN1
SCHEMBL840603 0.68 L3MBTL1 (0.43) HPGDLMNATP53MAPTMEN1
SCHEMBL2956112 0.68 L3MBTL1 (0.55) HPGDLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL10576705 0.68 HPGD (0.56) HPGDLMNATP53MAPTMEN1
SCHEMBL13861458 0.68 HPGD (0.49) HPGDNPC1RAB9ALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424363-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4354031-A HERBICIDES BASF ATIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4260775-A Substituted 3-aminopyrazoles BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0002180-A1 Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants BASF Aktiengesellschaft (DE) 1979-06-13 EP disclosed