SCHEMBL7017440

SCHEMBL7017440

CC(C)(C)n1nnc(-c2ccccc2[Zn]Br)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.33
AOC3 Q16853 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM1A O60341 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7020110 0.85 POLB (0.36) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL7015622 0.80 PBRM1 (0.41) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL27357705 0.76 POLB (0.38) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL8596999 0.76 POLB (0.38) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL7020959 0.76 POLB (0.36) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL9131392 0.75 POLB (0.38) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL9257119 0.74 POLB (0.40) POLBSMN1; SMN2PDK2AOC3ABCG2
SCHEMBL8788397 0.74 NPSR1 (0.55) SMN1; SMN2ABCG2NPC1RAB9AHPGD
SCHEMBL9430611 0.73 ABCG2 (0.45) POLBSMN1; SMN2AOC3ABCG2NPC1
SCHEMBL6188044 0.73 GRM5 (0.39) POLBSMN1; SMN2AOC3ABCG2NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846117-B1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES WYETH CORP (US) 2003-05-14 EP claimed
EP-0846117-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-10 EP claimed
US-5760220-A REACTING PROTECTED TETRAZOLYLPHENYL ZINC HALIDE WITH HALOPHENYLMETHYL PYRIDO/2,3-D/PYRIMIDONE IN PRESENCE OF PALLADIUM OR NICKEL CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-02 US claimed
WO-1996040684-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO claimed
EP-0846117-B1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES WYETH CORP (US) 2003-05-14 EP disclosed
US-5977372-A Chloro or bromo[2-[2-(tert-butyl)-2H-tetrazol-5-yl]phenyl]zinc intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-02 US disclosed
US-5977372-A Chloro or bromo[2-[2-(tert-butyl)-2H-tetrazol-5-yl]phenyl]zinc intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-02 US disclosed
EP-0846117-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-10 EP disclosed
US-5760220-A REACTING PROTECTED TETRAZOLYLPHENYL ZINC HALIDE WITH HALOPHENYLMETHYL PYRIDO/2,3-D/PYRIMIDONE IN PRESENCE OF PALLADIUM OR NICKEL CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-02 US disclosed
WO-1996040684-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO disclosed