SCHEMBL19033182

SCHEMBL19033182

COc1ccc([N+](=O)[O-])c(SO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ G6PD P11413 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ AKR1C3 P42330 3/20 0.49
▸ AKR1C2 P52895 3/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ AKR1C4 P17516 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45

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
SCHEMBL19033143 0.87 ALDH1A1 (0.51) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL6371197 0.85 MAPK1 (0.51) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL21444940 0.83 AKR1C3 (0.49) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL14866257 0.81 MAPT (0.48) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL1662886 0.78 ALDH1A1 (0.65) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL28461970 0.78 ALDH1A1 (0.49) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL6520 0.77 TDP1 (0.58) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL29445159 0.77 TDP1 (0.58) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL1852678 0.77 GPR35 (0.56) MAPTMAPK1KMT2AKDM4EAKR1C3
SCHEMBL11199415 0.77 ALDH1A1 (0.54) MAPTMAPK1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9689035-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2017-06-27 — — US disclosed
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