SCHEMBL6649596

SCHEMBL6649596

O=[N+]([O-])c1ccc(F)c(F)c1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
HSPB1 P04792 3/20 0.39
VCAM1 P19320 1/20 0.39
CASP6 P55212 3/20 0.38
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
MMP2 P08253 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 1/20 0.33
ALDH3A1 P30838 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL30695890 0.86 ATM (0.42) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL18894198 0.86 ATM (0.42) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL7029965 0.85 TDP1 (0.41) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL8142285 0.84 TDP1 (0.38) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL18128242 0.80 SMN1; SMN2 (0.38) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL31150399 0.79 TDP1 (0.44) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL521184 0.79 TDP1 (0.44) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL8106861 0.79 ALDH1A1 (0.36) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL7022625 0.79 MMP2 (0.36) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL7022634 0.79 MMP2 (0.36) TDP1ATMALDH1A1HIF1AHSPB1

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-0990639-B1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL IND CO (JP) 2004-02-25 EP disclosed
US-6162944-A Process for production of N-cyclopropylanilines and intermediates therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-19 US disclosed
EP-0990639-A1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-04-05 EP disclosed