SCHEMBL9799698

SCHEMBL9799698

Cc1c(C(=O)O)cccc1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.58
MITF O75030 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GFER P55789 1/20 0.55
TSHR P16473 2/20 0.54
PKM P14618 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL9799838 0.86 KMT2A (0.64) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9799834 0.86 KMT2A (0.64) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL7821134 0.85 MAPT (0.71) MEN1KMT2AMAPTSMN1; SMN2NPC1
Nitrobenzene SCHEMBL27471209 0.82 TSHR (0.67) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL27707208 0.80 TSHR (0.59) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL12189436 0.78 MEN1 (0.64) MEN1KMT2AMAPTSMN1; SMN2NPC1
Dinitrophenylene SCHEMBL27494788 0.77 TSHR (0.65) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL31155741 0.77 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2702303 0.77 NPC1 (0.71) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL31155757 0.76 CHRNB2 (0.69) MEN1KMT2AMAPTSMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
US-4980444-A Polyamides, polyureas, polyimides; heat resistance, melt processability, high strength fibers, films AKZO N.V. (NL) 1990-12-25 US disclosed
US-4851562-A HEAT RESISTANCE, MELT PROCESS ABILITY AKZO N.V. (NL) 1989-07-25 US disclosed
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed