SCHEMBL8306697

SCHEMBL8306697

Cc1cc(-n2nn[nH]c2=O)n(C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC11A2 P49281 1/20 0.31
ATM Q13315 1/20 0.31
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8308505 0.78 PRMT5 (0.38) ALDH1A1
SCHEMBL8307690 0.71 COMT (0.36)
SCHEMBL8308735 0.70 PRMT5 (0.33)
SCHEMBL8599564 0.68 HSP90AA1 (0.39) SMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL8308197 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1TSHRLMNAALOX15
SCHEMBL8307323 0.68 PRMT5 (0.32)
SCHEMBL8302340 0.68 LMNA (0.33) ALDH1A1LMNATP53L3MBTL1
SCHEMBL8977207 0.67 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL8303900 0.67 MAPT (0.36) SMN1; SMN2ALDH1A1LMNA
SCHEMBL8305940 0.67 DPP4 (0.31)

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-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed