SCHEMBL8169397

SCHEMBL8169397

Cc1cccc(-c2[c]ccc(C(=N)N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.44
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
DHODH Q02127 1/20 0.38
RAB9A P51151 1/20 0.38
C1S P09871 2/20 0.38
F2 P00734 3/20 0.38
PLG P00747 2/20 0.38
PARP1 P09874 1/20 0.38
NOS1 P29475 1/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
WDR5 P61964 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL8170510 0.83 NQO2 (0.44) PRSS1PRSS2PRSS3C1SF2
SCHEMBL8162971 0.82 C1S (0.57) PRSS1PRSS2PRSS3RAB9AC1S
SCHEMBL9030801 0.82 PRSS1 (0.44) PRSS1PRSS2PRSS3C1SF2
SCHEMBL17774314 0.79 PRSS1 (0.69) PRSS1PRSS2PRSS3DHODHRAB9A
SCHEMBL8555261 0.78 CYP1A2 (0.42) DHODH
SCHEMBL5779452 0.78 ACHE (0.44) RAB9AIDO1METAP2
SCHEMBL9029981 0.77 IDO1 (0.41) PRSS1PRSS2PRSS3DHODHRAB9A
SCHEMBL5217872 0.76 ACHE (0.50) RAB9A
SCHEMBL2687704 0.74 PARP1 (0.63) PRSS1PRSS2PRSS3C1SF2
SCHEMBL8170487 0.74 PRSS1 (0.43) PRSS1PRSS2PRSS3C1SF2

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 2 patents. 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
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed