SCHEMBL8977216

SCHEMBL8977216

CCc1ccccc1-n1nn[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
HSP90AA1 P07900 1/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
ALOX5 P09917 1/20 0.40
OPRM1 P35372 1/20 0.39
NPEPPS P55786 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37
KCNN4 O15554 1/20 0.37
MAPK14 Q16539 1/20 0.36
TP53 P04637 1/20 0.36
DAO P14920 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18504489 0.86 MGLL (0.36) MGLLHSP90AA1LMNAMEN1KMT2A
SCHEMBL25389303 0.86 KCNN4 (0.39) MGLLHSP90AA1LMNAMEN1KMT2A
SCHEMBL8686429 0.81 ALDH1A1 (0.36) LMNAKMT2AALDH1A1HPGDATM
SCHEMBL5906376 0.81 ALDH1A1 (0.44) MGLLHSP90AA1LMNAMEN1KMT2A
SCHEMBL17616577 0.80 L3MBTL1 (0.39) HSP90AA1LMNAMEN1KMT2AMAPT
SCHEMBL16273754 0.80 HSP90AA1 (0.44) HSP90AA1KMT2AHCAR1
SCHEMBL8977314 0.80 ALDH1A1 (0.48) MAPTALDH1A1
SCHEMBL16490930 0.80 KDM4E (0.35) HSP90AA1ALDH1A1DAO
SCHEMBL18504538 0.79 DAO (0.38) MGLLHSP90AA1DAO
SCHEMBL8920650 0.78 KDM4E (0.35) HCAR1NPEPPSALDH1A1DAO

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
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed