SCHEMBL9000331

SCHEMBL9000331

COc1cc(C=Cc2nc(C=Cc3ccnc(OC)c3)c(C=Cc3ccnc(OC)c3)nc2C=Cc2ccnc(OC)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
IDH1 O75874 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL2955136 0.82 CYP1A2 (0.51) LOXLOXL2HPGDSMN1; SMN2ALDH1A1
SCHEMBL2955141 0.82 CYP1A2 (0.51) LOXLOXL2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22708155 0.81 LOX (0.46) LOXLOXL2IDH1HPGDSMN1; SMN2
SCHEMBL2959452 0.78 NPC1 (0.52) LOXLOXL2ALDH1A1MAPTKDM4E
SCHEMBL2959455 0.78 NPC1 (0.52) LOXLOXL2ALDH1A1MAPTKDM4E
SCHEMBL28426947 0.77 XDH (0.49) LOXLOXL2IDH1HPGDSMN1; SMN2
SCHEMBL6632692 0.77 LOX (0.48) LOXLOXL2IDH1HPGDSMN1; SMN2
SCHEMBL443116 0.76 MAPT (0.49) LOXLOXL2IDH1HPGDALDH1A1
SCHEMBL22189323 0.76 LOX (0.47) LOXLOXL2IDH1HPGDSMN1; SMN2
SCHEMBL7767987 0.76 LOX (0.47) LOXLOXL2IDH1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516409-B1 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS (JP) 1996-09-11 EP disclosed
US-5416213-A Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1995-05-16 US disclosed
EP-0516409-A2 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-02 EP disclosed