SCHEMBL11554187

SCHEMBL11554187

O=C(O)COc1ccccc1N=NC(=NNc1ccccc1O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MDM2 Q00987 1/20 0.48
L3MBTL1 Q9Y468 7/20 0.47
RAB9A P51151 4/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 3/20 0.39
MBTPS1 Q14703 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 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
SCHEMBL11554178 0.91 TP53 (0.45) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL11554170 0.91 TP53 (0.45) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL3067269 0.80 RAB9A (0.59) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL3067276 0.80 RAB9A (0.59) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL11554072 0.80 PTGDR2 (0.46) TP53MDM2L3MBTL1POLBALDH1A1
SCHEMBL11554075 0.80 PTGDR2 (0.46) TP53MDM2L3MBTL1POLBALDH1A1
SCHEMBL13327193 0.79 TP53 (0.53) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL11554083 0.78 PTGDR2 (0.46) TP53MDM2L3MBTL1POLBALDH1A1
SCHEMBL16139607 0.74 TP53 (0.61) TP53MDM2L3MBTL1RAB9AKDM4A
SCHEMBL3064886 0.74 RAB9A (0.55) TP53MDM2L3MBTL1RAB9AKDM4A

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
US-4143049-A METHOD FOR PREPARING 2H-TETRAZOLIUM CHLORIDE AND 2H-TETRAZOLIUM CHLORIDE HYDROCHLORIDE OSTROVSKAYA VERA M 1979-03-06 US claimed
US-4143049-A METHOD FOR PREPARING 2H-TETRAZOLIUM CHLORIDE AND 2H-TETRAZOLIUM CHLORIDE HYDROCHLORIDE OSTROVSKAYA VERA M 1979-03-06 US disclosed