SCHEMBL4639604

SCHEMBL4639604

Brc1cccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
AHR P35869 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
LMNA P02545 2/20 0.36
CNR1 P21554 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
SCHEMBL4638378 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1TSHRHPGD
SCHEMBL4148430 0.84 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL30676079 0.83 HPGD (0.45) RAB9ASMN1; SMN2NPC1TSHRTP53
SCHEMBL4639478 0.83 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1TSHRHTT
SCHEMBL6617494 0.83 LMNA (0.46) RAB9ASMN1; SMN2NPC1TSHRKMT2A
SCHEMBL6624598 0.82 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPC1TSHRTP53
SCHEMBL7017606 0.81 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1TSHRTP53
SCHEMBL27513409 0.80 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1TP53HTT
SCHEMBL6618044 0.80 RAB9A (0.46) RAB9ASMN1; SMN2NPC1HTTHPGD
SCHEMBL9365044 0.77 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1TSHRHTT

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-1384717-B1 2-(2'-triphenylmethyl-2'H-tetrazol-5'-yl)phenylboronic acid intermediates for the synthesis of A II receptor antagonists DU PONT (US) 2008-05-14 EP disclosed
EP-1384717-A2 Tetrazolylphenylboronic acid intermediates for the synthesis of A II receptor antagonists E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-01-28 EP disclosed
EP-0643704-B1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS DU PONT (US) 2003-09-17 EP disclosed
EP-0643704-A4 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS. 1995-04-12 EP disclosed
EP-0643704-A1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-22 EP disclosed
US-5310928-A Process for preparing biphenyltetrazole compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-10 US disclosed
WO-1993010106-A1 TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-27 WO disclosed
US-5206374-A Process for preparing tetrazolylphenylboronic acid intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-27 US disclosed
US-5130439-A Tetrazolylphenylboronic acid intermediates for the synthesis of AII receptor antagonists E.I. DU PONT DE NEMOURS AND COMPANY, A CORPORATION OF DELAWARE 1992-07-14 US disclosed