SCHEMBL4978604

SCHEMBL4978604

NCc1ccc([N+](=O)[O-])c(CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
SNCA P37840 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.36
CA9 Q16790 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL1437048 0.89 TSHR (0.47) TSHRLOXL2SNCAALDH1A1POLB
SCHEMBL13284231 0.87 LOXL2 (0.47) TSHRLOXL2SNCAALDH1A1POLB
SCHEMBL30208637 0.87 TSHR (0.49) TSHRSNCAALDH1A1POLBCYP1A2
SCHEMBL28623192 0.87 TSHR (0.49) TSHRSNCAALDH1A1POLBCYP1A2
SCHEMBL10524423 0.84 LOXL2 (0.52) TSHRLOXL2SNCAALDH1A1POLB
SCHEMBL5284482 0.84 TSHR (0.46) TSHRSNCAALDH1A1POLBCYP1A2
SCHEMBL9815417 0.80 TSHR (0.55) TSHRSNCAALDH1A1POLBCYP1A2
SCHEMBL9477777 0.78 BACE1 (0.47) TSHRSNCAALDH1A1CYP1A2GPR35
SCHEMBL5983177 0.77 TSHR (0.46) TSHRSNCAALDH1A1POLBCYP1A2
SCHEMBL5284406 0.77 MAPT (0.41) TSHRALDH1A1CYP1A2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018218250-A2 PHOTOACTIVE COMPOUNDS AND METHODS FOR BIOMOLECULE DETECTION AND SEQUENCING VIBRANT HOLDINGS, LLC (US) 2018-11-29 WO disclosed
WO-2015054050-A1 PROBING OF BIOLOGICAL SAMPLES GENERAL ELECTRIC COMPANY (US) 2015-04-16 WO disclosed
EP-1730307-A4 PHOTOCLEAVABLE FLUORESCENT NUCLEOTIDES FOR DNA SEQUENCING ON CHIP CONSTRUCTED BY SITE-SPECIFIC COUPLING CHEMISTRY UNIV COLUMBIA (US) 2008-11-05 EP disclosed
EP-1730307-A2 PHOTOCLEAVABLE FLUORESCENT NUCLEOTIDES FOR DNA SEQUENCING ON CHIP CONSTRUCTED BY SITE-SPECIFIC COUPLING CHEMISTRY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-12-13 EP disclosed
WO-2005084367-A2 PHOTOCLEAVABLE FLUORESCENT NUCLEOTIDES FOR DNA SEQUENCING ON CHIP CONSTRUCTED BY SITE-SPECIFIC COUPLING CHEMISTRY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-09-15 WO disclosed