SCHEMBL7361668

SCHEMBL7361668

O=[N+]([O-])c1cccc(C=Cc2cncc(Br)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.60
CYP19A1 P11511 1/20 0.59
FBP1 P09467 1/20 0.55
VCP P55072 1/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 6/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TGM2 P21980 1/20 0.50
MEN1 O00255 5/20 0.49
MAOB P27338 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL7361664 1.00 NFE2L2 (0.60) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL6798527 0.83 NFE2L2 (0.60) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL6798522 0.83 NFE2L2 (0.60) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL6797337 0.82 NFE2L2 (0.68) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL6797334 0.82 NFE2L2 (0.68) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL15498134 0.81 NFE2L2 (0.89) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL3838345 0.81 TGM2 (0.67) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL3838344 0.81 TGM2 (0.67) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL11752570 0.80 CYP19A1 (0.78) NFE2L2CYP19A1FBP1VCPRAB9A
SCHEMBL11752577 0.80 CYP19A1 (0.78) NFE2L2CYP19A1FBP1VCPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed