SCHEMBL8306338

SCHEMBL8306338

CCN(CC)C(=O)n1nnn(-c2cc(C)n(Cc3ccccc3)c2C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
TSHR P16473 3/20 0.44
TP53 P04637 3/20 0.40
S1PR2 O95136 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GRIA2 P42262 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KLK1 P06870 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
P2RX4 Q99571 1/20 0.38

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
SCHEMBL8307903 0.90 NOTUM (0.48) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL8307255 0.89 NOTUM (0.43) NOTUMTSHRTP53S1PR2ALDH1A1
SCHEMBL8302567 0.84 L3MBTL1 (0.43) NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2
SCHEMBL8464658 0.76 P2RX4 (0.48) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL8464656 0.76 P2RX4 (0.48) ALDH1A1SMN1; SMN2POLBLMNAKMT2A
SCHEMBL6816393 0.75 P2RX4 (0.50) TSHRALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL6816570 0.75 P2RX4 (0.50) TSHRALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL10469475 0.75 LMNA (0.47) TSHRTP53ALDH1A1SMN1; SMN2POLB
SCHEMBL9017068 0.73 P2RX4 (0.48) TSHRALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL9017066 0.73 P2RX4 (0.48) TSHRALDH1A1SMN1; SMN2POLBLMNA

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