SCHEMBL8303651

SCHEMBL8303651

Cc1cnn(C)c1-n1nn[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL8302486 0.82 BPTF (0.33) CYP1A2POLBCYP3A4ALDH1A1PRMT5
SCHEMBL8307507 0.77 PRMT5 (0.33) CYP1A2POLBCYP3A4ALDH1A1PRMT5
SCHEMBL8303561 0.73 CRBN (0.35)
SCHEMBL8304232 0.72 KDM4E (0.37) ALDH1A1
SCHEMBL8306660 0.72 PRMT5 (0.34) ALDH1A1PRMT5WDR77
SCHEMBL8977207 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8977225 0.70 ALDH1A1 (0.39) POLBALDH1A1
SCHEMBL8309249 0.70 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL8302516 0.70 PRMT5 (0.36) ALDH1A1PRMT5WDR77
SCHEMBL8977221 0.68 SMN1; SMN2 (0.47) CYP1A2ALDH1A1

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