SCHEMBL9802777

SCHEMBL9802777

Oc1ccccc1C=C1NC1=Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.50
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
PLK4 O00444 1/20 0.49
PLK1 P53350 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
TRPA1 O75762 1/20 0.45
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
NFKB1 P19838 3/20 0.43
CA9 Q16790 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
JUN P05412 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CA4 P22748 2/20 0.42
CA1 P00915 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL10749176 0.78 MEN1 (0.57) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL15421542 0.78 MEN1 (0.57) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL10749179 0.78 MEN1 (0.57) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL15421471 0.76 CTSB (0.68) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL15421469 0.76 CTSB (0.68) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL15421473 0.76 CTSB (0.68) NAT1PLK4PLK1TDP1KDM4E
SCHEMBL5695444 0.74 TYR (0.74) NAT1PLK4PLK1TDP1LMNA
SCHEMBL17941850 0.73 NAT1 (0.51) NAT1TRIM24TRIM33PLK4PLK1
SCHEMBL13476075 0.71 TRIM24 (0.50) NAT1TRIM24TRIM33TDP1TRPA1
SCHEMBL16597908 0.71 PLK4 (0.66) NAT1PLK4PLK1TDP1KDM4E

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-4985053-A Gas separation membrane AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-01-15 US disclosed