SCHEMBL17205113

SCHEMBL17205113

O=C(c1cc[nH]n1)N(c1ccccc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL2404029 0.85 NPSR1 (0.45) NPSR1HTTTSHRKMT2ANPC1
SCHEMBL3831838 0.77 TSHR (0.56) PTGIRNPSR1HTTTP53TSHR
SCHEMBL10855054 0.75 NPSR1 (0.50) PTGIRNPSR1HTTTP53TSHR
SCHEMBL10668533 0.74 NPSR1 (0.63) PTGIRNPSR1HTTTP53TSHR
SCHEMBL3424139 0.73 SMN1; SMN2 (0.44) NPSR1HTTKMT2ANPC1RAB9A
SCHEMBL6003817 0.73 KDM4E (0.50) HTTTSHRKMT2ANPC1RAB9A
SCHEMBL9585211 0.72 NPSR1 (0.47) PTGIRNPSR1HTTTP53TSHR
SCHEMBL19512684 0.72 NPSR1 (0.47) PTGIRNPSR1HTTTP53TSHR
SCHEMBL3475461 0.72 NPSR1 (0.47) PTGIRNPSR1HTTTP53TSHR
SCHEMBL2848952 0.72 LMNA (0.59) NPSR1HTTTP53KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015169883-A1 CRYSTALLINE FORM B OF AN ANTHRANILAMIDE INSECTICIDE AND CONVERSION OF FORM B INTO FORM A BASF SE (DE) 2015-11-12 WO disclosed
WO-2015162260-A1 PROCESS FOR PREPARING ANTHRANILAMIDE ESTERS AND DERIVATIVES BASF SE (DE) 2015-10-29 WO disclosed
WO-2015162260-A1 PROCESS FOR PREPARING ANTHRANILAMIDE ESTERS AND DERIVATIVES BASF SE (DE) 2015-10-29 WO disclosed