SCHEMBL9017130

SCHEMBL9017130

CCCN(C(=O)n1nnn(-c2c(C)cccc2Cl)c1=O)C(C)CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
EPHB4 P54760 1/20 0.30

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
SCHEMBL9017127 1.00 KMT2A (0.37) KMT2AESR1GPBAR1LMNAGAA
SCHEMBL8465092 0.86 KMT2A (0.37) KMT2AESR1LMNAGAAALDH1A1
SCHEMBL8465090 0.86 KMT2A (0.37) KMT2AESR1LMNAGAAALDH1A1
SCHEMBL8464531 0.85 KMT2A (0.39) KMT2ALMNAGAAALDH1A1ALOX15
SCHEMBL8464528 0.85 KMT2A (0.39) KMT2ALMNAGAAALDH1A1ALOX15
SCHEMBL9017057 0.84 KMT2A (0.36) KMT2AESR1LMNAGAAALDH1A1
SCHEMBL9017056 0.84 KMT2A (0.36) KMT2AESR1LMNAGAAALDH1A1
SCHEMBL9017372 0.84 P2RX1 (0.38) KMT2AALDH1A1TSHRPDE4APDE4B
SCHEMBL9017368 0.84 P2RX1 (0.38) KMT2AALDH1A1TSHRPDE4APDE4B
SCHEMBL8977315 0.83 P2RX4 (0.38) KMT2AALDH1A1ALOX15MAPK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578090-B1 Tetrazolinones as herbicides for use in a rice paddy BAYER AGROCHEM KK (JP) 1996-12-27 EP claimed
US-5466660-A Tetrazolinones as herbicides for use in paddy NIHON BAYER AGROCHEM K.K. (JP) 1995-11-14 US claimed
US-5347010-A Tetrzolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US claimed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 EP claimed
EP-0578090-B1 Tetrazolinones as herbicides for use in a rice paddy BAYER AGROCHEM KK (JP) 1996-12-27 EP disclosed
US-5466660-A Tetrazolinones as herbicides for use in paddy NIHON BAYER AGROCHEM K.K. (JP) 1995-11-14 US disclosed
US-5347010-A Tetrzolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 EP disclosed