SCHEMBL7015622

SCHEMBL7015622

CC(C)(C)n1nnc(-c2ccccc2Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
AHR P35869 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
AOC3 Q16853 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PLA2G1B P04054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16370823 0.81 AGTR1 (0.43) PBRM1AHRPOLBSMN1; SMN2HSD11B1
SCHEMBL27357705 0.80 POLB (0.38) POLBSMN1; SMN2MAPK1MAPTNPC1
SCHEMBL8596999 0.80 POLB (0.38) POLBSMN1; SMN2MAPK1MAPTNPC1
SCHEMBL7015296 0.80 POLB (0.36) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7017440 0.80 POLB (0.36) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9131392 0.79 POLB (0.38) POLBSMN1; SMN2MAPK1MAPTNPC1
SCHEMBL9257119 0.78 POLB (0.40) POLBSMN1; SMN2MAPK1MAPTNPC1
SCHEMBL8788397 0.78 NPSR1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AABCG2
SCHEMBL7020110 0.76 POLB (0.36) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6188044 0.76 GRM5 (0.39) POLBSMN1; SMN2ALDH1A1MAPK1MAPT

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 9 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
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