SCHEMBL7017606

SCHEMBL7017606

CC(C)(C)n1nnc(-c2cccc(Br)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.43
AHR P35869 1/20 0.42
AOC3 Q16853 2/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL4639604 0.81 RAB9A (0.42) SMN1; SMN2POLBAHRNPC1RAB9A
SCHEMBL6601376 0.80 AOC3 (0.50) SMN1; SMN2POLBAHRAOC3NPC1
SCHEMBL4415031 0.80 SMN1; SMN2 (0.60) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL1092403 0.79 AHR (0.45) SMN1; SMN2AHRNPC1RAB9ATSHR
SCHEMBL13863817 0.78 AAK1 (0.47) AHRNPC1RAB9AGABRG2GABRB3
SCHEMBL6187257 0.78 SMN1; SMN2 (0.43) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL13947009 0.76 SMN1; SMN2 (0.53) SMN1; SMN2AHRNPC1RAB9ATSHR
SCHEMBL13696951 0.74 AOC3 (0.42) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL27628842 0.73 AHR (0.43) SMN1; SMN2AHRNPC1RAB9ATSHR
SCHEMBL29065385 0.72 AHR (0.42) SMN1; SMN2AHRNPC1RAB9ATSHR

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