SCHEMBL7320698

SCHEMBL7320698

O=[N+]([O-])c1ccc(Cc2nc(S)[nH]c2CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
RHEB Q15382 1/20 0.39
RIPK1 Q13546 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7321590 0.81 MEN1 (0.45) MEN1KMT2AGAAPKMPOLB
SCHEMBL17154335 0.72 POLB (0.63) MEN1KMT2APOLBTSHRLOXL2
SCHEMBL10563866 0.71 POLB (0.49) MEN1KMT2AGAAPKMPOLB
Paranitrobenzyl Alcohol SCHEMBL114620 0.70 TSHR (0.69) POLBTSHRLOXL2ALDH1A1CYP2C19
SCHEMBL8087428 0.70 POLB (0.76) MEN1KMT2APOLBTSHRLOXL2
SCHEMBL8094050 0.70 POLB (0.76) MEN1KMT2APOLBTSHRLOXL2
SCHEMBL44366 0.70 POLB (0.76) MEN1KMT2APOLBTSHRLOXL2
SCHEMBL9136851 0.69 POLB (0.63) MEN1KMT2APOLBTSHRLOXL2
SCHEMBL8185024 0.69 TSHR (0.49) MEN1KMT2AGAAPKMPOLB
SCHEMBL3887887 0.66 TSHR (0.89) MEN1KMT2APOLBTSHRLOXL2

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
WO-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed