SCHEMBL5486739

SCHEMBL5486739

CCOC(=O)c1cc([N+](=O)[O-])cnc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 7/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.45
IDO1 P14902 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CCR6 P51684 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.42
AKR1B1 P15121 1/20 0.40

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
SCHEMBL9593080 0.83 MAPT (0.53) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL2332293 0.82 MAPT (0.55) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL8321809 0.81 MAPT (0.54) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL18149813 0.81 KDM4E (0.58) KDM4EMAPTSMN1; SMN2NPC1IDO1
SCHEMBL1313734 0.80 MAPT (0.53) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL912582 0.80 MAPT (0.59) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL17979169 0.79 KDM4E (0.56) KDM4EMAPTPOLBNPC1IDO1
SCHEMBL5480400 0.79 KDM4E (0.63) KDM4EMAPTSMN1; SMN2NPC1IDO1
SCHEMBL31347406 0.78 MAPT (0.51) KDM4EMAPTPOLBSMN1; SMN2NPC1
SCHEMBL29076978 0.77 KDM4E (0.53) KDM4EMAPTSMN1; SMN2IDO1RAB9A

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed