SCHEMBL8308641

SCHEMBL8308641

Cc1cc(-n2nn[nH]c2=O)c(C)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
PSMD14 O00487 1/20 0.43
HTT P42858 1/20 0.43
TYMS P04818 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
S1PR2 O95136 2/20 0.41
MAPT P10636 3/20 0.41
TLR7 Q9NYK1 1/20 0.40
AR P10275 1/20 0.40

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 0.72 NOTUM (0.48) NOTUMKMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL8304600 0.72 POLB (0.49) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL8306338 0.70 NOTUM (0.45) NOTUMKMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL5906376 0.70 ALDH1A1 (0.44) KMT2ASMN1; SMN2MAPK1TSHRMEN1
SCHEMBL4480638 0.68 HPGD (0.66) NOTUMKMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL8977216 0.68 MGLL (0.44) KMT2ATSHRMEN1HPGDALDH1A1
SCHEMBL18504519 0.68 DAO (0.34) TSHRALDH1A1LMNARAB9A
SCHEMBL5905968 0.68 IDO1 (0.49) KMT2ASMN1; SMN2KDM4EMEN1HPGD
SCHEMBL18037156 0.68 L3MBTL1 (0.42) KMT2ASMN1; SMN2KDM4EMEN1HPGD
SCHEMBL18037170 0.67 BRD4 (0.48) MAPK1LMNANPC1RAB9AMAPT

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