SCHEMBL28081982

SCHEMBL28081982

O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.56
NHERF1 O14745 3/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PLCG2 P16885 1/20 0.48
GUSB P08236 2/20 0.47
TP53 P04637 1/20 0.46
LGALS8 O00214 1/20 0.46
LGALS3 P17931 1/20 0.46
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL28081997 0.88 NPC1 (0.50) PYGLNHERF1MEN1KMT2AMAPT
SCHEMBL28081954 0.84 MEN1 (0.54) MEN1KMT2AMAPTLMNARXFP1
SCHEMBL28081963 0.84 NPC1 (0.60) PYGLMEN1KMT2AMAPTRXFP1
SCHEMBL28082017 0.83 TP53 (0.50) PYGLNHERF1MEN1KMT2AMAPT
SCHEMBL28082011 0.81 TDP1 (0.51) PYGLNHERF1MEN1KMT2AMAPT
SCHEMBL28081980 0.81 TP53 (0.69) MEN1KMT2AMAPTLMNARXFP1
SCHEMBL28081953 0.80 TDP1 (0.48) PYGLNHERF1
SCHEMBL28832324 0.79 TDP1 (0.49) PYGLNHERF1MEN1KMT2AMAPT
SCHEMBL6019366 0.77 POLB (0.64) NHERF1MEN1KMT2AMAPTLMNA
SCHEMBL28081968 0.76 MAPT (0.49) PYGLNHERF1MEN1KMT2AMAPT

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