SCHEMBL18554247

SCHEMBL18554247

O=C(Nc1ccccc1C(=O)O)c1ccc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
KCNMA1 Q12791 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NHERF1 O14745 1/20 0.51
KCNK2 O95069 1/20 0.50
KCNK10 P57789 1/20 0.50
HCAR2 Q8TDS4 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 2/20 0.48
ABL1 P00519 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
SCHEMBL6833856 0.81 MAPT (0.58) DHODHMEN1KMT2AKCNMA1NPSR1
SCHEMBL14855554 0.80 KMT2A (0.77) DHODHMEN1KMT2APKMKCNK2
SCHEMBL15183709 0.80 KMT2A (0.77) DHODHMEN1KMT2APKMKCNK2
SCHEMBL414754 0.79 MEN1 (0.83) DHODHMEN1KMT2APKMKCNK2
SCHEMBL31053873 0.79 MEN1 (0.83) DHODHMEN1KMT2APKMKCNK2
SCHEMBL2028671 0.79 DHODH (0.86) DHODHMEN1KMT2APKMKCNK2
SCHEMBL13506055 0.79 HPGD (0.62) KMT2AKCNMA1RAB9ANPC1ALDH1A1
SCHEMBL16404480 0.78 DHODH (0.78) DHODHMEN1KMT2APKMKCNK2
SCHEMBL29623640 0.78 KCNMA1 (0.55) KCNMA1RAB9ANPC1ALDH1A1
SCHEMBL6246433 0.78 MEN1 (0.86) DHODHMEN1KMT2APKMKCNK2

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
EP-3337795-A1 PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY Femtogenix Limited (GB) 2018-06-27 EP disclosed
WO-2017032983-A1 PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY FEMTOGENIX LIMITED (GB) 2017-03-02 WO disclosed