SCHEMBL4372485

SCHEMBL4372485

Oc1c(Nc2ccccc2)cccc1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 4/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 2/20 0.62
GLA P06280 1/20 0.62
RECQL P46063 1/20 0.62
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 3/20 0.56
ALOX15 P16050 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
CDC25B P30305 1/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL27294589 0.89 MAPT (0.56) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL565034 0.85 MAPT (0.67) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL11284921 0.83 KDM4E (0.50) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL6853270 0.82 CXCR2 (0.77) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL444976 0.81 MAPT (0.70) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL1008928 0.80 CXCR2 (0.68) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL29720861 0.80 CXCR2 (0.68) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL13363917 0.79 MAPT (0.61) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL27435565 0.78 CXCR2 (0.66) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL14985410 0.78 CXCR2 (0.57) MAPTKMT2AALOX15CXCR2FABP4

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-20090294298-A1 Detection of Phenols ISIS INNOVATION LIMITED (GB) 2009-12-03 US disclosed