SCHEMBL8169762

SCHEMBL8169762

N=C(N)c1cc[c]c(NCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
MRGPRX1 Q96LB2 3/20 0.44
PLAU P00749 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
F10 P00742 4/20 0.41
ASIC3 Q9UHC3 1/20 0.41
F2 P00734 4/20 0.39
F7 P08709 2/20 0.39
F12 P00748 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
KLKB1 P03952 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL8174776 0.77 PLAU (0.44) PRSS1PRSS2PRSS3PLAUF10
SCHEMBL8174902 0.75 PRSS1 (0.36) PRSS1PRSS2PRSS3PLAULOXL2
SCHEMBL8173364 0.73 PRSS1 (0.43) PRSS1PRSS2PRSS3F2
SCHEMBL4599833 0.73 LMNA (0.45)
SCHEMBL4599182 0.73 HTT (0.43)
SCHEMBL4603282 0.73 PKM (0.42) PKM
SCHEMBL8173655 0.73 PLAU (0.55) PRSS1PRSS2PRSS3PLAULOXL2
SCHEMBL7329993 0.71 MRGPRX1 (0.74) PRSS1PRSS2PRSS3MRGPRX1F10
SCHEMBL693665 0.70 HSD17B10 (0.47)
SCHEMBL3285826 0.70 APP (0.44) BLM

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-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed