SCHEMBL17525992

SCHEMBL17525992

COc1c(F)cc([N+](=O)[O-])c(N)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL17525995 0.87 MAPT (0.45) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL25367899 0.85 MAPT (0.46) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL29474148 0.81 CYP1A2 (0.53) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL17525997 0.80 ALDH1A1 (0.45) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL10472840 0.80 MAPT (0.46) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL3520372 0.78 SMN1; SMN2 (0.48) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL30079683 0.77 CYP1A2 (0.45) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL24823673 0.77 CYP1A2 (0.45) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL6475603 0.77 TSHR (0.49) MAPTMEN1KMT2AKDM4EG6PD
SCHEMBL31569258 0.77 MAPT (0.43) MAPTMEN1KMT2AKDM4EG6PD

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
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO disclosed