SCHEMBL28082018

SCHEMBL28082018

O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
AKR1C3 P42330 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL28082028 0.89 HRH4 (0.62) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6019366 0.80 POLB (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL931628 0.78 NHERF1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29732649 0.78 MAPT (0.61) MAPTGAANPC1RAB9AMEN1
SCHEMBL28775985 0.78 MAPT (0.61) MAPTGAANPC1RAB9AMEN1
SCHEMBL28081980 0.78 TP53 (0.69) MAPTGAANPC1RAB9AMEN1
SCHEMBL23258395 0.77 MEN1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7126991 0.77 MEN1 (0.76) MAPTNPC1MEN1KMT2AMAPK1
SCHEMBL28082015 0.76 MAOA (0.59) MAPTGAANPC1RAB9AMEN1
SCHEMBL28082050 0.76 TAAR1 (0.53)

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