SCHEMBL7862971

SCHEMBL7862971

N=C(N)c1cccc(-c2ccc(F)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PLAU P00749 4/20 0.39
▸ PLAT P00750 4/20 0.39
▸ KLKB1 P03952 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ F7 P08709 2/20 0.39
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 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
SCHEMBL6832583 0.84 BCAT2 (0.50) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL28216060 0.84 SLC6A4 (0.53) SLC6A4SLC6A3PLAUPLATKLKB1
SCHEMBL8532468 0.83 PLAU (0.39) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL30370009 0.78 BCAT2 (0.57) SLC6A4SLC6A3PTGS2PTGS1GRM2
SCHEMBL3034724 0.72 HDAC6 (0.48) SLC6A4SLC6A3PTGS1ABL1BCAT2
SCHEMBL28248560 0.72 MAOA (0.43) SLC6A4SLC6A3PTGS2PTGS1ENPP1
SCHEMBL1005911 0.71 SLC6A4 (0.44) SLC6A4SLC6A3PTGS2PTGS1ENPP1
SCHEMBL27940786 0.71 IKBKB (0.47) SLC6A4SLC6A3GRM2BCAT2CYP1A2
SCHEMBL17558545 0.70 FABP4 (0.44) PLAUPLATKLKB1PRSS1PRSS2
SCHEMBL2543678 0.70 ENPP1 (0.42) SLC6A4SLC6A3PTGS2PTGS1ENPP1

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-6303714-B1 NOVEL METALLOCENE POLYMERIZATION CATALYST COMPLEXES CONTAINING ATOMS OF GROUP 15 OF THE PERIODIC TABLE, E.G., (PENTAMETHYLCYCLOPENTADIENYL)(N,N'-BIS(PHENYL)BENZAMIDINATO)ZI RCONIUM DICHLORIDE JAPAN POLYOLEFINS CO., LTD. (JP) 2001-10-16 — — US disclosed
EP-0926166-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PREPARING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1999-06-30 — — EP disclosed
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