SCHEMBL28081997

SCHEMBL28081997

O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
RXFP1 Q9HBX9 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PRNP P04156 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PYGL P06737 3/20 0.44
NHERF1 O14745 1/20 0.44
SERPINE1 P05121 1/20 0.43
LGALS8 O00214 1/20 0.42
LGALS3 P17931 1/20 0.42

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
SCHEMBL28081954 0.93 MEN1 (0.54) NPC1RAB9AMAPTRXFP1MEN1
SCHEMBL28081982 0.88 PYGL (0.56) NPC1RAB9AMAPTRXFP1MEN1
SCHEMBL28081963 0.85 NPC1 (0.60) NPC1RAB9AMAPTRXFP1MEN1
SCHEMBL28081980 0.81 TP53 (0.69) NPC1RAB9AMAPTRXFP1MEN1
SCHEMBL28081958 0.80 EGFR (0.51) RXFP1MEN1KMT2AALDH1A1PYGL
SCHEMBL6019366 0.78 POLB (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL28082017 0.77 TP53 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL23258395 0.77 MEN1 (0.57) NPC1RAB9AMAPTRXFP1MEN1
SCHEMBL28082011 0.76 TDP1 (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL28832324 0.76 TDP1 (0.49) NPC1RAB9AMAPTRXFP1MEN1

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
CN-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed