SCHEMBL7020110

SCHEMBL7020110

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 1/20 0.33
AOC3 Q16853 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM1A O60341 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
SCHEMBL7017440 0.85 POLB (0.36) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7015622 0.76 PBRM1 (0.41) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8596999 0.76 POLB (0.38) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27357705 0.76 POLB (0.38) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9131392 0.75 POLB (0.38) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8788397 0.74 NPSR1 (0.55) SMN1; SMN2NPC1RAB9AHPGDL3MBTL1
SCHEMBL9257119 0.74 POLB (0.40) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7020959 0.73 POLB (0.36) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8595377 0.73 SMN1; SMN2 (0.39) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9430611 0.73 ABCG2 (0.45) POLBSMN1; SMN2NPC1RAB9AHPGD

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 5 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 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