SCHEMBL11273586

SCHEMBL11273586

CN(c1ccc(O)cc1)c1cnc2cc(Cl)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
CSF1R P07333 1/20 0.37
CHKA P35790 1/20 0.37
RXRA P19793 1/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
ESR2 Q92731 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GFER P55789 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
SCHEMBL11263115 0.86 PTGS2 (0.37) PTGS2RXRAMAPTMEN1KMT2A
SCHEMBL10913732 0.81 PTGS2 (0.44) PTGS2HRH4CSF1RCHKARXRA
SCHEMBL11264919 0.78 CYP1A2 (0.51) RXRAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL11267584 0.78 CYP1A2 (0.51) HRH4RXRAMAPTMEN1KMT2A
SCHEMBL11273121 0.76 CYP1A2 (0.65) CSF1RRXRAMAPTMEN1KMT2A
SCHEMBL11270736 0.76 MAPT (0.49) RXRAMAPTMEN1KMT2AALDH1A1
SCHEMBL11097842 0.76 PIK3CG (0.44) PTGS2CSF1RCHKAMAPTMEN1
SCHEMBL10981401 0.76 PTGS2 (0.42) PTGS2CSF1RCHKARXRAMAPT
SCHEMBL9491546 0.75 PTGS2 (0.41) PTGS2HRH4CSF1RCHKAMAPT
SCHEMBL11267012 0.73 MAPT (0.46) RXRAMAPTMEN1KMT2AALDH1A1

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
US-4358307-A PREFERENTIAL CONTROLLING OF MONOCOTYLEDONS IN CROPS ICI AUSTRALIA LIMITED (AU) 1982-11-09 US disclosed
EP-0026622-A2 Quinoxalinylaminophenoxyalkane carboxylic acid derivatives, their preparation, their use as herbicides and intermediates ICI AUSTRALIA LIMITED (AU) 1981-04-08 EP disclosed