SCHEMBL11587767

SCHEMBL11587767

CN(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CRHBP P24387 3/20 0.47
CRHR2 Q13324 3/20 0.47
TLR9 Q9NR96 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.46
PLG P00747 1/20 0.45
GSK3B P49841 1/20 0.45
MGLL Q99685 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL10522269 0.86 ALDH1A1 (0.43) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL6807736 0.81 MGLL (0.49) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL28468319 0.81 KMT2A (0.55) ATMKMT2AMEN1HPGDTDP1
Benzene SCHEMBL27882820 0.80 TDP1 (0.47) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL6064807 0.80 TDP1 (0.47) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL11590633 0.78 ALDH1A1 (0.55) KMT2AMEN1HPGDNPSR1TDP1
SCHEMBL38661807 0.78 TDP1 (0.45) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL28045704 0.78 MGLL (0.46) ATMKMT2AMEN1HPGDNPSR1
SCHEMBL5842574 0.77 ALDH1A1 (0.71) ATMKMT2AMEN1HPGDNPSR1
Trinitrotoluene SCHEMBL11497948 0.77 KMT2A (0.61) ATMKMT2AMEN1TDP1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4084004-A Rodenticidal use of diphenylamines ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed