SCHEMBL8625305

SCHEMBL8625305

O=C(NC1=NN(c2ccccc2)C(=O)C1(Br)Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
PTPN1 P18031 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL14596620 0.84 KMT2A (0.51) SMN1; SMN2RAB9AMAPTNPC1PTPN1
SCHEMBL13660333 0.81 ALDH1A1 (0.44) SMN1; SMN2RAB9AMAPTNPC1POLB
SCHEMBL11812611 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MAPTMAPK1LMNAPOLB
SCHEMBL444635 0.77 PRMT1 (0.41) BCAT2ADORA3SMN1; SMN2RAB9AMAPT
Dimethylamine SCHEMBL9400427 0.74 MEN1 (0.39) BCAT2ADORA3SMN1; SMN2RAB9AMAPT
Diethylamine SCHEMBL7761030 0.71 MEN1 (0.36) BCAT2SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6931199 0.69 KMT2A (0.52) SMN1; SMN2RAB9AMAPTNPC1PTPN1
SCHEMBL124737 0.69 MEN1 (0.72) BCAT2SMN1; SMN2MAPTLMNAPOLB
SCHEMBL14596448 0.65 GAA (0.37) SMN1; SMN2MAPTLMNAPOLBGAA
SCHEMBL24202631 0.63 SIRT1 (0.83) SMN1; SMN2RAB9AMAPTNPC1JAK2

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
JP-10045588-A None JP disclosed
JP-10218771-A None JP disclosed
JP-H10218771-A PLATELET-ORIGINATING VASCULAR ENDOTHELIAL CELL GROWTH FACTOR INHIBITOR CONTAINING PYRAZOLONE COMPOUND OR ITS SALT ISHIHARA SANGYO KAISHA LTD 1998-08-18 JP disclosed
JP-H1045588-A ALPHA-GLUCOSIDASE INHIBITOR CONTAINING PYRAZOLONE-BASED COMPOUND OR ITS SALT ISHIHARA SANGYO KAISHA LTD 1998-02-17 JP disclosed