SCHEMBL8301048

SCHEMBL8301048

N=C(NOc1ccccc1)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MASP2 O00187 1/20 0.42
PLAU P00749 1/20 0.42
THPO P40225 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
APEX1 P27695 1/20 0.41
PRSS3 P35030 1/20 0.41
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
NLRP3 Q96P20 1/20 0.38
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36

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
Hydrochloric Acid SCHEMBL6647861 0.80 LOXL2 (0.46) PLAUF2PRSS1MAPTALDH1A1
SCHEMBL20118384 0.75 SLC1A3 (0.44) MAOAPRSS1RAB9AMEN1KMT2A
SCHEMBL8180792 0.74 RAB9A (0.51) MAOARAB9ANPC1MAPTL3MBTL1
SCHEMBL2257827 0.71 F2 (0.42) F2PRSS1PRSS3MEN1KMT2A
SCHEMBL3862551 0.71 MASP2 (0.46) MAOAMASP2PLAUTHPOF2
SCHEMBL6960874 0.69 MEN1 (0.55) MAOAMASP2PLAUTHPOF2
SCHEMBL7307963 0.69 KMT2A (0.50) APEX1RAB9AMEN1KMT2ANPC1
SCHEMBL26482808 0.69 CYP1A2 (0.47) MAOAF2RAB9AMEN1KMT2A
SCHEMBL26482519 0.69 PLAU (0.41) MASP2PLAUTHPOF2PRSS1
SCHEMBL4619841 0.69 PLAU (0.54) MASP2PLAUTHPOF2PRSS1

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
WO-2004113278-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed