SCHEMBL4374732

SCHEMBL4374732

CC(C)(N)CNc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 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
SCHEMBL14950224 0.90 EGFR (0.47) EGFRKMT2AMAPTMEN1HTT
SCHEMBL842812 0.88 EGFR (0.45) EGFRKMT2AMAPTMEN1HTT
SCHEMBL3170951 0.88 EGFR (0.47) EGFRKMT2AMAPTMEN1HTT
SCHEMBL30583389 0.84 S1PR4 (0.34) EGFRKMT2AMAPTMEN1RAB9A
SCHEMBL6722326 0.83 EGFR (0.41) EGFRKMT2AMAPTMEN1HTT
SCHEMBL842241 0.83 EGFR (0.41) EGFRKMT2AMAPTMEN1HTT
SCHEMBL12744367 0.81 EGFR (0.47) EGFRKMT2AMAPTMEN1HTT
SCHEMBL1456869 0.81 KDM4E (0.52) EGFRKMT2AMAPTMEN1HTT
SCHEMBL2744402 0.81 MEN1 (0.47) EGFRKMT2AMAPTMEN1HTT
SCHEMBL1457279 0.81 ACHE (0.48) EGFRKMT2AMAPTMEN1HTT

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-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed