SCHEMBL11588656

SCHEMBL11588656

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Cl)c(C(F)(F)F)cc(C(F)(F)F)c2Cl)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
TDP1 Q9NUW8 3/20 0.43
HIF1A Q16665 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
GPR35 Q9HC97 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 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
SCHEMBL11589065 0.93 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11589865 0.93 ALDH1A1 (0.44) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11587041 0.92 MEN1 (0.40) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11590740 0.91 MEN1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11587742 0.90 ALDH1A1 (0.44) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11587419 0.89 MAPT (0.42) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11587404 0.89 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11588642 0.89 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11586458 0.89 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15
SCHEMBL11590199 0.89 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AHPGDALOX15

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