SCHEMBL11221464

SCHEMBL11221464

COC(=O)c1[c]c([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
SLC6A3 Q01959 1/20 0.38
ALOX5 P09917 1/20 0.38
SLC6A4 P31645 1/20 0.37
MAPT P10636 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL11099430 0.81 MAPK1 (0.47) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL27310045 0.75 CA12 (0.39) POLBMEN1KMT2ASMN1; SMN2SLC6A4
SCHEMBL733060 0.74 MEN1 (0.47) POLBMEN1KMT2AHTTSLC6A3
SCHEMBL18479 0.74 CYP19A1 (0.52) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL28038815 0.73 KMT2A (0.38) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10332372 0.73 TSHR (0.41) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL561284 0.72 HTT (0.64) POLBMEN1KMT2AHTTSMN1; SMN2
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.72 SMN1; SMN2 (0.60) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7274798 0.70 TSHR (0.50) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL909296 0.70 TSHR (0.45) POLBMEN1KMT2AHTTSMN1; SMN2

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
US-4340537-A Monoazo dyes of the thiazole series having a heterocyclic substituent in the 4-position BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0017769-B1 DYESTUFFS OF THE THIAZOLE SERIES AND THEIR USE BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017769-A1 Dyestuffs of the thiazole series and their use BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed