SCHEMBL4639478

SCHEMBL4639478

[Li]c1cccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
GRM5 P41594 1/20 0.32

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) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL4639604 0.83 RAB9A (0.42) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL6617494 0.83 LMNA (0.46) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL30676079 0.83 HPGD (0.45) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL6624598 0.80 SMN1; SMN2 (0.42) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL6618044 0.80 RAB9A (0.46) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL27513409 0.78 SMN1; SMN2 (0.41) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL9365044 0.77 SMN1; SMN2 (0.43) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL30743612 0.76 ABCG2 (0.55) SMN1; SMN2POLBRAB9ANPC1L3MBTL1
SCHEMBL10373126 0.76 SMN1; SMN2 (0.40) SMN1; SMN2POLBRAB9ANPC1HPGD

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