SCHEMBL11701434

SCHEMBL11701434

[O-][n+]1c2ccccc2c2ccccc2[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ACHE P22303 3/20 0.39
RAB9A P51151 2/20 0.38
RCE1 Q9Y256 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8214274 0.75 KDM4E (0.38) ATMACHERAB9ARCE1HTT
SCHEMBL6919829 0.69 ATM (0.63) ATMACHERAB9AMEN1POLB
SCHEMBL29627789 0.69 ATM (0.63) ATMACHERAB9AMEN1POLB
SCHEMBL4782479 0.69 ATM (0.43) ATMHTTKDM4ELMNAALDH1A1
SCHEMBL3072045 0.68 GPR3 (0.42) ACHERAB9ARCE1POLBKMT2A
SCHEMBL16261594 0.67 MAPT (0.47) ATMACHERAB9AMEN1POLB
SCHEMBL8739989 0.65 CSNK2A2 (0.50) ACHEHTTMAPTBAD
Quindoxin SCHEMBL29462546 0.65 ATM (0.43) ATMACHEMEN1POLBCASP6
Quindoxin SCHEMBL1323909 0.65 ATM (0.43) ATMACHEMEN1POLBCASP6
SCHEMBL30815924 0.63 ATM (0.48) ATMRAB9AMEN1POLBCASP6

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-4029505-A PHOTOPOLYMERIZABLE LAYER OF UNSATURATED COMPOUND, DINITROSO COMPOUND, AND FREE-RADICAL GENERATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-14 US claimed